SCHEMBL3769904

SCHEMBL3769904

CNCCn1cc(-c2ccnc(N[C@H]3CC[C@H](O)CC3)n2)c2cccnc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 6/20 0.65
CDK1 P06493 6/20 0.65
CCNB1 P14635 6/20 0.65
CCNB3 Q8WWL7 6/20 0.65
RET P07949 6/20 0.56
MAPK8 P45983 6/20 0.52
MAPK9 P45984 6/20 0.52
MAPK10 P53779 4/20 0.52
GSK3B P49841 5/20 0.49
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
TYK2 P29597 3/20 0.46
CDC7 O00311 2/20 0.46
JAK2 O60674 2/20 0.46
MAP4K4 O95819 2/20 0.46
INSR P06213 2/20 0.46
CSF1R P07333 2/20 0.46

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
SCHEMBL3769906 1.00 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL13061452 0.91 CDK1 (0.78) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3775606 0.90 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3775610 0.90 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3770583 0.88 CCNB2 (0.83) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3770574 0.88 CCNB2 (0.83) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3776172 0.86 CCNB2 (0.80) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3776164 0.86 CCNB2 (0.80) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL5807755 0.85 CDK1 (0.60) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL13008049 0.84 CCNB2 (0.59) CCNB2CDK1CCNB1CCNB3RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-17 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 (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-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders TK1, MAP3K1, MAP3K2 CCNB2 358/4885CDK1 71/4885CCNB1 441/4885

“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.