SCHEMBL3770549

SCHEMBL3770549

Cc1[nH]c2ncccc2c1-c1ccnc(NC2CCC(N)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 1.00
CCNB1 P14635 6/20 1.00
CCNB2 O95067 5/20 1.00
CCNB3 Q8WWL7 5/20 1.00
RET P07949 7/20 0.64
CDC7 O00311 3/20 0.64
JAK2 O60674 3/20 0.64
MAP4K4 O95819 3/20 0.64
CSF1R P07333 3/20 0.64
PIM1 P11309 3/20 0.64
PRKACA P17612 3/20 0.64
FLT3 P36888 3/20 0.64
GSK3B P49841 3/20 0.64
JAK3 P52333 3/20 0.64
HIPK2 Q9H2X6 3/20 0.64
DAPK3 O43293 2/20 0.64
PRKD3 O94806 2/20 0.64
PAK4 O96013 2/20 0.64
INSR P06213 2/20 0.64
LCK P06239 2/20 0.64

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
SCHEMBL3770545 1.00 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL1051100 0.78 RET (1.00) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL1051098 0.78 RET (1.00) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL13239592 0.76 EIF2AK2 (0.67) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL13007969 0.75 EIF2AK2 (0.60) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL13008030 0.72 CCNB2 (0.56) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL24065221 0.71 CDK1 (0.54) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL18677322 0.71 CDK1 (0.54) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL15233041 0.69 KDM4E (0.64) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL473432 0.69 KDM4E (0.64) CDK1CCNB1CCNB2CCNB3RET

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 3 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-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-17 US disclosed
WO-2006050076-A1 PYRIMIDINYL SUBSTITUTED FUSED-PYRROLYL COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 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 (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.