SCHEMBL2059463

SCHEMBL2059463

C=CCNc1nc(Cl)ncc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
IGF1R P08069 2/20 0.44
INSR P06213 1/20 0.44
FGFR1 P11362 1/20 0.44
KDR P35968 1/20 0.44
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MTOR P42345 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
RAB9A P51151 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13649082 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1IGF1R
SCHEMBL1936518 0.83 ALDH1A1 (0.71) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL9278122 0.81 ALDH1A1 (0.69) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL27635201 0.78 STK17B (0.44) ALDH1A1L3MBTL1KMT2AMEN1IGF1R
SCHEMBL13897499 0.77 MEN1 (0.52) ALDH1A1L3MBTL1KMT2AMEN1IGF1R
SCHEMBL13194676 0.77 KMT2A (0.46) ALDH1A1L3MBTL1KMT2AMEN1IGF1R
SCHEMBL6210647 0.75 MEN1 (0.42) ALDH1A1L3MBTL1KMT2AMEN1IGF1R
SCHEMBL6210640 0.75 MEN1 (0.42) ALDH1A1L3MBTL1KMT2AMEN1IGF1R
SCHEMBL5151737 0.75 STK17A (0.50) ALDH1A1L3MBTL1KMT2AMEN1STK17B
SCHEMBL3447092 0.75 KMT2A (0.50) ALDH1A1L3MBTL1KMT2AMEN1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-7973044-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed
US-7968547-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160341-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-7741328-B2 Treating inflammatory diseases such as rheumatoid arthritis, multiple sclerosis or Crohn's disease; Very Late Antigen-4 (VLA-4), also called alpha 4 beta 1 integrin; N-(sulfonamido-substituted pyrimidyl, pyridyl or pyrazyl)-L-4-(N,N-dimethylcarbamyloxy)phenylalanine compounds ELAN PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-20040266763-A1 3-(heteroaryl) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2004-12-30 US disclosed
US-6794506-B2 TREATMENT OF INFLAMMATORY DISEASES, SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS ELAN PHARMACEUTICALS, INC. 2004-09-21 US disclosed
US-20040147512-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 KONRADI ANDREI W (US) 2003-07-24 US disclosed
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-03 US disclosed
US-6492372-B1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-10 US disclosed
US-20020052375-A1 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-02 US disclosed
WO-2002008203-A2 3-(HETEROARYL) ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
EP-1144388-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043372-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 VCAM1, ICAM1, ITGB4 ALDH1A1 386/4885L3MBTL1 164/4885KMT2A 686/4885
US-20040266763-A1 3-(heteroaryl) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 VCAM1, AADAT, ICAM1 ALDH1A1 376/4885L3MBTL1 113/4885KMT2A 901/4885
US-20100160341-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 ALDH1A1 260/4885L3MBTL1 427/4885KMT2A 685/4885
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 ALDH1A1 260/4885L3MBTL1 427/4885KMT2A 685/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP ALDH1A1 1780/4885L3MBTL1 2247/4885KMT2A 2222/4885
US-20040147512-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 ALDH1A1 260/4885L3MBTL1 427/4885KMT2A 685/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN ALDH1A1 3377/4885L3MBTL1 3251/4885KMT2A 1642/4885
US-20020052375-A1 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGAL ALDH1A1 572/4885L3MBTL1 127/4885KMT2A 1839/4885
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 ALDH1A1 260/4885L3MBTL1 427/4885KMT2A 685/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.