SCHEMBL2964987

SCHEMBL2964987

Cn1ncc(N)c(N)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.41
BRD9 Q9H8M2 3/20 0.41
BPTF Q12830 6/20 0.40
CDK8 P49336 2/20 0.37
ACVR1 Q04771 1/20 0.37
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 3/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MTOR P42345 1/20 0.35
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PTGS2 P35354 1/20 0.34
HIF1A Q16665 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33

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
SCHEMBL31735389 0.80 BRD9 (0.42) KAT2BBRD9BPTFALDH1A1BRD4
SCHEMBL23318253 0.78 KAT2B (0.43) KAT2BBRD9BPTFALDH1A1BRD4
SCHEMBL7010722 0.78 KAT2B (0.56) KAT2BBRD9BPTFALDH1A1BRD4
SCHEMBL4163687 0.78 KAT2B (0.47) KAT2BBRD9BPTFALDH1A1BRD4
SCHEMBL8237034 0.75 KAT2B (0.62) KAT2BBRD9BPTFBRD4RAB9A
SCHEMBL4161199 0.75 ALDH1A1 (0.40) KAT2BBRD9BPTFCDK8ACVR1
SCHEMBL5106132 0.74 KDM4E (0.43) MAPTNPSR1
SCHEMBL8544116 0.72 SMN1; SMN2 (0.35) ALDH1A1RAB9ANPSR1
SCHEMBL24207796 0.71 ALDH1A1 (0.39) KAT2BBRD9BPTFCDK8ACVR1
SCHEMBL27557716 0.71 BRD9 (0.34) KAT2BBRD9BPTFBRD4PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024046221-A1 EGFR INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2024-03-07 WO disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 US disclosed
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 US disclosed
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 US disclosed
EP-1781653-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 WO disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 WO disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP 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-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors CDK3, CDK1, GSK3B KAT2B 976/4885BRD9 1519/4885BPTF 3709/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 KAT2B 648/4885BRD9 703/4885BPTF 1300/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KAT2B 1271/4885BRD9 738/4885BPTF 1560/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KAT2B 1271/4885BRD9 738/4885BPTF 1560/4885

“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.