SCHEMBL1356792

SCHEMBL1356792

COc1cccc(Cn2ncc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.53
AURKA O14965 1/20 0.53
STAT6 P42226 2/20 0.51
USP2 O75604 5/20 0.50
CYP3A4 P08684 5/20 0.50
TSHR P16473 5/20 0.50
LMNA P02545 4/20 0.50
CYP2C9 P11712 4/20 0.50
CASP1 P29466 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 4/20 0.50
FGFR4 P22455 3/20 0.50
MEN1 O00255 3/20 0.50
MAPK1 P28482 3/20 0.50
KMT2A Q03164 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
CASP7 P55210 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
BRCA1 P38398 1/20 0.50

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
SCHEMBL1356692 0.92 STAT6 (0.55) CDK4AURKASTAT6FGFR4FGFR1
SCHEMBL1355913 0.89 STAT6 (0.51) CDK4STAT6LMNAFGFR4FGFR1
SCHEMBL1353806 0.87 CDK4 (0.55) CDK4STAT6FGFR4FGFR1CCND1
SCHEMBL1356819 0.85 CDK4 (0.59) CDK4AURKAFGFR4FGFR1CCND1
SCHEMBL1662535 0.81 JAK3 (0.55) USP2CYP3A4TSHRLMNACYP2C9
SCHEMBL672966 0.81 JAK3 (0.48) CDK4STAT6CCND1CDK2CDK1
SCHEMBL1353701 0.79 EIF2AK4 (0.60) CDK4AURKAFGFR4FGFR1CCND1
SCHEMBL1355864 0.78 STAT6 (0.53) CDK4STAT6FGFR4FGFR1CCND1
SCHEMBL1355968 0.77 STAT6 (0.58) CDK4STAT6FGFR4CCND1CDK2
SCHEMBL671593 0.76 JAK3 (0.52) STAT6BRD4JAK2JAK1BRD2

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
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 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 (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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885AURKA 9/4885STAT6 2214/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885AURKA 9/4885STAT6 2214/4885

“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.