SCHEMBL3318537

SCHEMBL3318537

COc1ccc(Nc2cc(Nc3cc(C#N)cc(OC)c3)nn3c(C#N)cnc23)nc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.37
▸ STAT3 P40763 2/20 0.37
▸ TNF P01375 1/20 0.34
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ NUAK1 O60285 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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
SCHEMBL2357208 0.87 CSNK2A2 (0.33) TYK2TNFCSNK2A2IDO1TDO2
SCHEMBL3313894 0.84 PRKCQ (0.39) TYK2
SCHEMBL3312262 0.83 TYK2 (0.53) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL3313276 0.82 CSNK2A2 (0.39) TYK2STAT3CSNK2A2CSNK2A1NUAK1
SCHEMBL2358060 0.79 CSNK2A2 (0.41) TYK2TNFCSNK2A2CSNK2A1
SCHEMBL2357319 0.79 KCNH2 (0.44) TYK2CSNK2A2CSNK2A1IDO1TDO2
SCHEMBL12013186 0.79 CSNK2A2 (0.34) TYK2TNFCSNK2A2IDO1TDO2
SCHEMBL13421761 0.77 TYK2 (0.39) TYK2IDO1TDO2JAK1KCNH2
SCHEMBL3313265 0.76 CSNK2A2 (0.32) TNFCSNK2A2KIT
SCHEMBL3313201 0.75 CSNK2A2 (0.47) TYK2CSNK2A2TNIKJAK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US claimed
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
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
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

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 TYK2 393/4885STAT3 764/4885TNF 4540/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885STAT3 764/4885TNF 4540/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885STAT3 764/4885TNF 4540/4885

“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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