SCHEMBL6479634

SCHEMBL6479634

Cn1c(-c2ccc(F)cc2)cc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
HRH4 Q9H3N8 2/20 0.42
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL3230114 0.85 CCNB2 (0.63) AHRCCNB2CDK1CCNB1CDK5
SCHEMBL10366831 0.84 CCNB2 (0.46) AHRCCNB2CDK1CCNB1CDK5
SCHEMBL6478532 0.84 CCNB2 (0.49) AHRCCNB2CDK1CCNB1CDK5
SCHEMBL4780743 0.84 TOP1 (0.44) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL14291446 0.84 CCNB2 (0.43) AHRCCNB2CDK1CCNB1CDK5
SCHEMBL4781475 0.82 NPC1 (0.49) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL31084993 0.82 CCNB2 (0.44) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL18741104 0.80 MAPT (0.49) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL30785519 0.78 CCNB2 (0.71) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL27158870 0.78 CCNB2 (0.71) CCNB2CDK1CCNB1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 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 (1 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 AHR 688/4885CCNB2 1062/4885CDK1 822/4885

“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.