SCHEMBL3776711

SCHEMBL3776711

NC1CCC(Nc2cc(NCc3ccccc3)c3ncc(C(=O)Nc4ccncc4)n3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.49
▸ MAPKAPK2 P49137 1/20 0.44
▸ FLT3 P36888 9/20 0.42
▸ CCNE1 P24864 8/20 0.42
▸ CDK2 P24941 8/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT1 P17948 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ CCNT1 O60563 1/20 0.39

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
SCHEMBL3776707 1.00 TYK2 (0.49) TYK2MAPKAPK2FLT3CCNE1CDK2
SCHEMBL3667229 0.90 CCNE1 (0.46) TYK2FLT3CCNE1CDK2PDE4D
SCHEMBL3667232 0.90 CCNE1 (0.46) TYK2FLT3CCNE1CDK2PDE4D
SCHEMBL3780058 0.88 TYK2 (0.48) TYK2FLT3CCNE1CDK2KIT
SCHEMBL14747511 0.88 TYK2 (0.48) TYK2FLT3CCNE1CDK2KIT
SCHEMBL3016433 0.88 TYK2 (0.59) TYK2FLT3CCNE1CDK2KIT
SCHEMBL3016423 0.88 TYK2 (0.59) TYK2FLT3CCNE1CDK2KIT
SCHEMBL3777642 0.88 TYK2 (0.58) TYK2FLT3CCNE1CDK2KIT
SCHEMBL3776473 0.88 TYK2 (0.58) TYK2FLT3CCNE1CDK2KIT
SCHEMBL3776469 0.88 TYK2 (0.58) TYK2FLT3CCNE1CDK2KIT

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 TYK2 289/4885MAPKAPK2 26/4885FLT3 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.

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