SCHEMBL3720201

SCHEMBL3720201

COc1ccc(CN(c2cc(N[C@H]3CC[C@H](N)CC3)nn3c(C(=O)Nc4ccncc4F)cnc23)C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ FLT3 P36888 3/20 0.38
▸ TYK2 P29597 7/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ CCNT1 O60563 2/20 0.34
▸ ROCK2 O75116 3/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ NTRK1 P04629 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ KLKB1 P03952 1/20 0.32

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
SCHEMBL3721600 1.00 CCNE1 (0.38) CCNE1CDK2FLT3TYK2GSK3B
SCHEMBL3716735 0.93 TYK2 (0.34) TYK2NTRK1
SCHEMBL3716732 0.93 TYK2 (0.34) TYK2NTRK1
SCHEMBL13013622 0.91 PIK3CA (0.36) TYK2NTRK1
SCHEMBL13745149 0.91 PIK3CA (0.36) TYK2NTRK1
SCHEMBL3722136 0.90 CCNE1 (0.39) CCNE1CDK2FLT3TYK2GSK3B
SCHEMBL3722638 0.88 CCNE1 (0.36) CCNE1CDK2FLT3TYK2GSK3B
SCHEMBL3722642 0.88 CCNE1 (0.36) CCNE1CDK2FLT3TYK2GSK3B
SCHEMBL13013388 0.87 CCNE1 (0.38) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3722340 0.87 CCNE1 (0.38) CCNE1CDK2FLT3TYK2CCNT1

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 disclosed
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
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 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.

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