SCHEMBL3869436

SCHEMBL3869436

Cc1ccc(C)c(-n2nc(C(C)(C)C)cc2N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPK14 Q16539 5/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRM1 P35372 1/20 0.40
CDK8 P49336 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HCAR1 Q9BXC0 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1011692 0.87 KDM4E (0.44) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL1013289 0.84 ALDH1A1 (0.56) KDM4EMAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL1492473 0.83 ALDH1A1 (0.55) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL3973567 0.82 NR1I2 (0.52) KDM4EALDH1A1MAPTKMT2ATP53
SCHEMBL3304391 0.81 ALDH1A1 (0.56) HSD17B10OPRM1ALDH1A1MAPTMEN1
SCHEMBL1010944 0.80 KDM4E (0.40) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL13652991 0.79 CDK8 (0.42) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL366727 0.78 NPC1 (0.60) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL16280011 0.77 MEN1 (0.64) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL29396544 0.77 MEN1 (0.64) KDM4EMAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300157-B Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof 烟台大学 2021-08-20 CN disclosed
CN-112300157-A Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof 烟台大学 2021-02-02 CN 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
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

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

For each of this compound's patents that has machine-readable text (2 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 KDM4E 3885/4885MAPK14 2768/4885MAPK13 1918/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP KDM4E 3885/4885MAPK14 2768/4885MAPK13 1918/4885

“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.