SCHEMBL3779569

SCHEMBL3779569

N[C@H]1CC[C@H](Nc2cc(Nc3ccc(C(=O)N4CCC(c5ccccc5)C4)cc3)c3ncc(C(=O)Nc4ccncc4)n3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.47
CDK2 P24941 19/20 0.47
FLT3 P36888 19/20 0.47
KIT P10721 1/20 0.47
TYK2 P29597 1/20 0.45

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
SCHEMBL3779575 1.00 CCNE1 (0.47) CCNE1CDK2FLT3KITTYK2
SCHEMBL3016423 0.86 TYK2 (0.59) CCNE1CDK2FLT3KITTYK2
SCHEMBL3016433 0.86 TYK2 (0.59) CCNE1CDK2FLT3KITTYK2
SCHEMBL18192940 0.86 TYK2 (0.50) CCNE1CDK2FLT3KITTYK2
SCHEMBL3768941 0.84 TYK2 (0.52) CCNE1CDK2FLT3KITTYK2
SCHEMBL3768945 0.84 TYK2 (0.52) CCNE1CDK2FLT3KITTYK2
SCHEMBL3670297 0.84 CCNE1 (0.49) CCNE1CDK2FLT3KITTYK2
SCHEMBL3670295 0.84 CCNE1 (0.49) CCNE1CDK2FLT3KITTYK2
SCHEMBL3781393 0.83 FLT3 (0.49) CCNE1CDK2FLT3KITTYK2
SCHEMBL3781400 0.83 FLT3 (0.49) CCNE1CDK2FLT3KITTYK2

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 9 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-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US 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
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 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.