SCHEMBL3754047

SCHEMBL3754047

Clc1nccc(-c2ccc(Br)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
PIK3CG P48736 6/20 0.55
PIK3CA P42336 5/20 0.55
PIK3CB P42338 5/20 0.55
MAPT P10636 6/20 0.45
KDM4E B2RXH2 3/20 0.45
KMO O15229 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
MAP4K4 O95819 1/20 0.39

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
SCHEMBL441888 0.83 MAPT (0.59) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL446173 0.82 MEN1 (0.58) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL16161191 0.80 KMT2A (0.55) MEN1KMT2AMAPTKDM4EKMO
SCHEMBL444442 0.80 KMT2A (0.56) MEN1KMT2APIK3CGMAPTKDM4E
SCHEMBL1667688 0.80 KMO (0.47) MEN1KMT2AMAPTKDM4EKMO
SCHEMBL210678 0.80 MEN1 (0.66) MEN1KMT2AMAPTKMOL3MBTL1
SCHEMBL6362896 0.79 MEN1 (0.82) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL7210451 0.79 NPC1 (0.47) MEN1KMT2AMAPTKDM4EKMO
SCHEMBL445042 0.79 MEN1 (0.59) MEN1KMT2AMAPTKDM4EKMO
SCHEMBL3754295 0.78 ALDH1A1 (0.46) MEN1KMT2AMAPTKMOL3MBTL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796719-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2017-10-24 US disclosed
US-9796719-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2017-10-24 US disclosed
US-20160214986-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-07-28 US disclosed
US-20160214986-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-07-28 US disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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 (4 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-20160214986-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS ENPP2, TPX2, PRXL2A MEN1 3429/4885KMT2A 1492/4885PIK3CG 1589/4885
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MEN1 4118/4885KMT2A 2159/4885PIK3CG 687/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MEN1 4118/4885KMT2A 2159/4885PIK3CG 687/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MEN1 4118/4885KMT2A 2159/4885PIK3CG 687/4885

“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.