SCHEMBL3722285

SCHEMBL3722285

COc1ccc(CNc2cc(Cl)nn3c(C(=O)Nc4ccncc4F)cnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.41
▸ VNN1 O95497 3/20 0.41
▸ HDAC1 Q13547 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ASPH Q12797 1/20 0.39
▸ RIOX2 Q8IUF8 1/20 0.39
▸ KDM8 Q8N371 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ NCOR1 O75376 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 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
SCHEMBL3727633 0.89 NOD2 (0.44) NOD2HDAC1RAB9ATRPV1ALDH1A1
SCHEMBL3721919 0.85 TYK2 (0.41) RAB9AKMT2A
SCHEMBL3721792 0.83 NOD2 (0.39) NOD2HDAC1KDM4ERAB9AHDAC3
SCHEMBL13745140 0.83 CCNE1 (0.42) VNN1HDAC1
SCHEMBL3719962 0.81 NOD2 (0.37) NOD2HDAC1ABCB1TRPV1
SCHEMBL3720248 0.80 NOD2 (0.36) NOD2HDAC1KDM4ERAB9AHDAC3
SCHEMBL3663899 0.79 MCL1 (0.38) RAB9AKMT2A
SCHEMBL13745774 0.77 HDAC3 (0.40) HDAC1HDAC3HDAC2
SCHEMBL3721115 0.77 GAA (0.38) KDM4ERAB9AGAAKMT2A
SCHEMBL13745245 0.77 RAB9A (0.36) HDAC1RAB9AHDAC3HDAC2GAA

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 PI4KB 63/4885NOD2 3749/4885VNN1 4087/4885

“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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