SCHEMBL3722488

SCHEMBL3722488

COc1ccc(CN(c2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccnc(Cl)c4)cnc23)C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 6/20 0.38
▸ CDK2 P24941 6/20 0.38
▸ FLT3 P36888 5/20 0.38
▸ CCNT1 O60563 5/20 0.36
▸ PDGFRA P16234 1/20 0.35
▸ TYK2 P29597 4/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PDE1B Q01064 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ CCR5 P51681 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
SCHEMBL3722490 1.00 CCNE1 (0.38) CCNE1CDK2FLT3CCNT1PDGFRA
SCHEMBL3667219 0.92 FYN (0.37) TYK2PDE1B
SCHEMBL3722334 0.92 CCNE1 (0.38) CCNE1CDK2FLT3CCNT1PDGFRA
SCHEMBL13013388 0.92 CCNE1 (0.38) CCNE1CDK2FLT3CCNT1PDGFRA
SCHEMBL3722340 0.92 CCNE1 (0.38) CCNE1CDK2FLT3CCNT1PDGFRA
SCHEMBL3720021 0.92 TYK2 (0.33) CCNE1CDK2FLT3TYK2CCR5
SCHEMBL3723311 0.88 MALT1 (0.37) TYK2PDE1BCCR5
SCHEMBL13745301 0.85 CCNE1 (0.44) CCNE1CDK2FLT3CCNT1TYK2
SCHEMBL3721600 0.85 CCNE1 (0.38) CCNE1CDK2FLT3CCNT1TYK2
SCHEMBL3720201 0.85 CCNE1 (0.38) CCNE1CDK2FLT3CCNT1TYK2

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 8 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
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

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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