SCHEMBL3313987

SCHEMBL3313987

COc1ccc(CN(c2ccc(OC)cn2)c2cc(Nc3ccc(C)c(NC(C)=O)c3)nn3c(C#N)cnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 10/20 0.40
▸ CSNK2A2 P19784 8/20 0.40
▸ CSNK2B P67870 7/20 0.40
▸ KCNH2 Q12809 4/20 0.40
▸ HIPK2 Q9H2X6 3/20 0.40
▸ DYRK3 O43781 2/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ STK4 Q13043 2/20 0.35
▸ HIPK1 Q86Z02 2/20 0.35
▸ DYRK2 Q92630 2/20 0.35
▸ HIPK3 Q9H422 2/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL12012892 0.88 KCNH2 (0.34) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL2357319 0.81 KCNH2 (0.44) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL2357242 0.80 SMN1; SMN2 (0.33) KCNH2GSK3BNPC1ALDH1A1MAPT
SCHEMBL13644193 0.78 NR1D1 (0.34) KCNH2KDM4EALDH1A1MAPT
SCHEMBL3314096 0.76 PDE1B (0.34) KDM4EALDH1A1GAAMAPT
SCHEMBL2357215 0.75 ALDH1A1 (0.34) KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3310314 0.75 KCNH2 (0.44) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL2359241 0.74 KCNH2 (0.42) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL3316260 0.74 KCNH2 (0.46) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2
SCHEMBL3311742 0.73 CSNK2A1 (0.46) CSNK2A1CSNK2A2CSNK2BKCNH2HIPK2

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 10 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
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-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
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 (2 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 CSNK2A1 88/4885CSNK2A2 135/4885CSNK2B 140/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A1 88/4885CSNK2A2 135/4885CSNK2B 140/4885

“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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