SCHEMBL3770147

SCHEMBL3770147

OCCn1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.78
CCNB1 P14635 9/20 0.78
CCNB2 O95067 6/20 0.78
CCNB3 Q8WWL7 6/20 0.78
GSK3B P49841 5/20 0.56
CDC7 O00311 2/20 0.56
JAK2 O60674 2/20 0.56
MAP4K4 O95819 2/20 0.56
INSR P06213 2/20 0.56
CSF1R P07333 2/20 0.56
PIM1 P11309 2/20 0.56
PRKACA P17612 2/20 0.56
TYK2 P29597 2/20 0.56
FLT3 P36888 2/20 0.56
JAK3 P52333 2/20 0.56
ITK Q08881 2/20 0.56
PIM3 Q86V86 2/20 0.56
HIPK2 Q9H2X6 2/20 0.56
MKNK2 Q9HBH9 2/20 0.56
IRAK4 Q9NWZ3 2/20 0.56

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
SCHEMBL3775606 0.91 CCNB2 (0.65) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL3775610 0.91 CCNB2 (0.65) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL13061452 0.88 CDK1 (0.78) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL5808258 0.87 CDK1 (0.61) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL3763115 0.87 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL13008036 0.86 CDK1 (0.74) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL3775441 0.85 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL13061664 0.82 CDK1 (0.73) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL5808261 0.81 CCNB2 (0.53) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL3769906 0.81 CCNB2 (0.65) CDK1CCNB1CCNB2CCNB3GSK3B

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 CDK1 71/4885CCNB1 441/4885CCNB2 358/4885

“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.