SCHEMBL3784739

SCHEMBL3784739

COc1ccnc(Nc2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccncc4)cnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.47
CDK2 P24941 11/20 0.47
FLT3 P36888 11/20 0.47
TYK2 P29597 9/20 0.44
PDE4D Q08499 1/20 0.41

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
SCHEMBL3784735 1.00 CCNE1 (0.47) CCNE1CDK2FLT3TYK2PDE4D
SCHEMBL3776589 0.92 TYK2 (0.44) CCNE1CDK2FLT3TYK2PDE4D
SCHEMBL3776596 0.92 TYK2 (0.44) CCNE1CDK2FLT3TYK2PDE4D
SCHEMBL3774772 0.91 CCNE1 (0.48) CCNE1CDK2FLT3TYK2PDE4D
SCHEMBL3774779 0.91 CCNE1 (0.48) CCNE1CDK2FLT3TYK2PDE4D
SCHEMBL3780722 0.91 CCNE1 (0.57) CCNE1CDK2FLT3TYK2
SCHEMBL3780715 0.91 CCNE1 (0.57) CCNE1CDK2FLT3TYK2
SCHEMBL3775848 0.90 CCNE1 (0.53) CCNE1CDK2FLT3TYK2
SCHEMBL3775850 0.90 CCNE1 (0.53) CCNE1CDK2FLT3TYK2
SCHEMBL3778002 0.90 TYK2 (0.49) CCNE1CDK2FLT3TYK2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 EP claimed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US claimed
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 EP disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 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-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 CCNE1 869/4885CDK2 49/4885FLT3 166/4885

“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.