SCHEMBL1819331

SCHEMBL1819331

Cc1ccccc1-n1nc(C)c(Br)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK14 Q16539 1/20 0.41
OPRM1 P35372 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
IKBKB O14920 1/20 0.39
IKBKE Q14164 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALPL P05186 1/20 0.36
NPSR1 Q6W5P4 1/20 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
SCHEMBL5008554 0.81 HTT (0.48) HTTKMT2AMAPTALDH1A1MAPK14
SCHEMBL1143440 0.79 SMN1; SMN2 (0.62) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5007710 0.76 BRAF (0.46) HTTKMT2AMAPTALDH1A1MAPK14
SCHEMBL5090417 0.76 KMT2A (0.56) HTTKMT2AMAPTALDH1A1MAPK14
SCHEMBL1815226 0.72 MAPK14 (0.55) HTTKMT2AMAPTALDH1A1MAPK14
SCHEMBL3974032 0.72 SMN1; SMN2 (0.54) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1143383 0.71 CYP1A2 (0.62) HTTKMT2AMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11473767 0.70 CYP1A2 (0.61) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5008401 0.70 HTT (0.50) HTTKMT2AMAPTALDH1A1MAPK14
SCHEMBL1816971 0.69 POLB (0.55) HTTKMT2AMAPTALDH1A1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
EP-1720863-A4 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORP (US) 2009-04-22 EP disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US disclosed
EP-1720863-A2 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2006-11-15 EP disclosed
WO-2005086656-A2 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-22 WO disclosed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 US disclosed
EP-1567517-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2005-08-31 EP disclosed
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION 2004-08-12 US disclosed
WO-2004050650-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 WO disclosed
WO-2004050651-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 WO disclosed
WO-2004050651-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 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-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes GPR119, GOT2, IAPP HTT 2240/4885KMT2A 3923/4885MAPT 3713/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 HTT 1948/4885KMT2A 4310/4885MAPT 2420/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP HTT 2240/4885KMT2A 3923/4885MAPT 3713/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT HTT 3044/4885KMT2A 3072/4885MAPT 2724/4885

“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.