SCHEMBL3726443

SCHEMBL3726443

COc1ccc(CN(c2ccccn2)c2cc(N[C@H]3CC[C@H](N)CC3)nn3c(C(=O)Nc4ccnc(F)c4)cnc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ TYK2 P29597 4/20 0.35
▸ CCNT1 O60563 4/20 0.35
▸ PDGFRA P16234 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ HRH4 Q9H3N8 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ BUB1 O43683 1/20 0.32
▸ MAPK13 O15264 1/20 0.31
▸ PIM1 P11309 1/20 0.31

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
SCHEMBL3726442 1.00 CCNE1 (0.36) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3722638 0.88 CCNE1 (0.36) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3722642 0.88 CCNE1 (0.36) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3722340 0.88 CCNE1 (0.38) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3722334 0.88 CCNE1 (0.38) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL13013388 0.88 CCNE1 (0.38) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3664306 0.85 MAPT (0.38) ALDH1A1HRH1TRPM8DHODHBUB1
SCHEMBL3722490 0.80 CCNE1 (0.38) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3722488 0.80 CCNE1 (0.38) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3026837 0.78 TYK2 (0.47) 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 11 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
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
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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