SCHEMBL3722033

SCHEMBL3722033

Nc1cc(Cl)cc(Nc2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccncc4F)cnc23)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.42
▸ CDK2 P24941 10/20 0.40
▸ CCNE1 P24864 9/20 0.40
▸ FLT3 P36888 9/20 0.40
▸ MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL13013447 1.00 TYK2 (0.42) TYK2CDK2CCNE1FLT3MAPKAPK2
SCHEMBL3722027 1.00 TYK2 (0.42) TYK2CDK2CCNE1FLT3MAPKAPK2
SCHEMBL3722297 0.91 TYK2 (0.41) TYK2CDK2CCNE1FLT3
SCHEMBL13013455 0.91 TYK2 (0.41) TYK2CDK2CCNE1FLT3
SCHEMBL3722294 0.91 TYK2 (0.41) TYK2CDK2CCNE1FLT3
SCHEMBL3775439 0.88 TYK2 (0.42) TYK2CDK2CCNE1FLT3
SCHEMBL3775445 0.88 TYK2 (0.42) TYK2CDK2CCNE1FLT3
SCHEMBL3780555 0.87 TYK2 (0.45) TYK2CDK2CCNE1FLT3
SCHEMBL3780569 0.87 TYK2 (0.45) TYK2CDK2CCNE1FLT3
SCHEMBL3769510 0.87 TYK2 (0.55) TYK2CDK2CCNE1FLT3

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 7 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
EP-2240488-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-20 — — EP disclosed
WO-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — 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-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 TYK2 289/4885CDK2 49/4885CCNE1 869/4885

“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.

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