SCHEMBL28041

SCHEMBL28041

CC(C)(C)OC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.61
L3MBTL1 Q9Y468 4/20 0.60
TDP1 Q9NUW8 1/20 0.55
TRPA1 O75762 1/20 0.53
RAB9A P51151 7/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
NPC1 O15118 3/20 0.51
MAPK1 P28482 2/20 0.50
BRD4 O60885 1/20 0.50
GLA P06280 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL18292615 0.85 TDP1 (0.57) PTK2L3MBTL1TDP1RAB9ATSHR
SCHEMBL14496793 0.83 PTK2 (0.49) PTK2L3MBTL1TDP1TRPA1RAB9A
SCHEMBL851343 0.83 DEGS1 (0.56)
SCHEMBL1126145 0.83 RAB9A (0.62) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL6609814 0.83 NAMPT (0.52) RAB9ASMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL24608579 0.82 RAB9A (0.48) PTK2L3MBTL1RAB9ATSHRSMN1; SMN2
SCHEMBL28717918 0.82 PTK2 (0.48) PTK2L3MBTL1TDP1TRPA1RAB9A
SCHEMBL29750530 0.82 RAB9A (0.48) PTK2L3MBTL1RAB9ATSHRSMN1; SMN2
SCHEMBL12461458 0.81 GSK3B (0.44) PTK2L3MBTL1RAB9AMAPK1MAPT
SCHEMBL56219 0.81 PTGS1 (0.50) RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 US disclosed
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMECEUTICALS INC (US) 2016-03-10 US disclosed
EP-2970200-A1 PYRIDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 EP disclosed
CN-105189481-A Pyridine cdk9 kinase inhibitors ABBVIE INC 2015-12-23 CN disclosed
EP-1507756-B1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2015-07-22 EP disclosed
US-9035096-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-19 US disclosed
WO-2014160017-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 WO disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 US disclosed
US-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-8569543-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20090054495-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20080103180-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-01 US disclosed
US-7282502-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-16 US disclosed
US-7238717-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 US disclosed
US-20060167251-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2006-07-27 US disclosed
EP-1507756-A4 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP disclosed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
US-20040038976-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-02-26 US disclosed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 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 (8 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-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 PTK2 599/4885L3MBTL1 2739/4885TDP1 1335/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 PTK2 690/4885L3MBTL1 3577/4885TDP1 3267/4885
US-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 PTK2 690/4885L3MBTL1 3577/4885TDP1 3267/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 PTK2 690/4885L3MBTL1 3577/4885TDP1 3267/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 PTK2 690/4885L3MBTL1 3577/4885TDP1 3267/4885
US-20090054495-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 PTK2 690/4885L3MBTL1 3577/4885TDP1 3267/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 PTK2 690/4885L3MBTL1 3577/4885TDP1 3267/4885
US-20080103180-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 PTK2 690/4885L3MBTL1 3577/4885TDP1 3267/4885

“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.