SCHEMBL2358411

SCHEMBL2358411

COc1ccc(CN(c2cccc(C(=O)O)c2)c2cc(Cl)nn3c(C#N)cnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.40
▸ MEP1B Q16820 3/20 0.38
▸ MEP1A Q16819 1/20 0.38
▸ MRGPRX4 Q96LA9 4/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LPAR1 Q92633 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TAS2R14 Q9NYV8 2/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ MMP13 P45452 1/20 0.35
▸ BCL2A1 Q16548 1/20 0.35

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
SCHEMBL12012942 0.90 VNN1 (0.34) PPARAMEN1KMT2AVNN1BCL2A1
SCHEMBL2358823 0.89 NR1D1 (0.36) TP53SMN1; SMN2MEN1KMT2ABCL2A1
SCHEMBL13422049 0.88 MEP1B (0.40) PPARAMEP1BMEP1AMRGPRX4TP53
SCHEMBL2357847 0.87 RAD52 (0.45) —
SCHEMBL2358664 0.84 MCHR1 (0.39) MEN1KMT2A
SCHEMBL13644222 0.81 VNN1 (0.34) PPARARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3314096 0.80 PDE1B (0.34) KMT2A
SCHEMBL3017547 0.80 BCL2A1 (0.40) TP53RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL25231135 0.80 PDE1B (0.35) TP53MEN1KMT2A
SCHEMBL3318342 0.80 HRH1 (0.41) SMN1; SMN2MEN1KMT2ATRPM8

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-26 — — US disclosed
EP-2350081-B1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-03 — — EP disclosed
EP-2350081-B1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-03 — — EP disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
EP-2350081-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-08-03 — — EP disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — US disclosed
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — 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 (3 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-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PPARA 4166/4885MEP1B 696/4885MEP1A 768/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PPARA 4166/4885MEP1B 696/4885MEP1A 768/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PPARA 4166/4885MEP1B 696/4885MEP1A 768/4885

“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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