SCHEMBL12013186

SCHEMBL12013186

COc1ccc(Nc2cc(Nc3ccc(O)c(-n4cnnc4)c3)nn3c(C#N)cnc23)nc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 5/20 0.34
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ TNF P01375 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ TYK2 P29597 2/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL2358060 0.90 CSNK2A2 (0.41) CSNK2A2TNFTYK2
SCHEMBL3313265 0.87 CSNK2A2 (0.32) CSNK2A2TNFKIT
SCHEMBL3313201 0.85 CSNK2A2 (0.47) CSNK2A2TYK2JAK2KITJAK1
SCHEMBL2357208 0.85 CSNK2A2 (0.33) CSNK2A2IDO1TDO2TNFTYK2
SCHEMBL12013318 0.80 CSNK2A2 (0.46) CSNK2A2TYK2
SCHEMBL3318537 0.79 TYK2 (0.37) CSNK2A2IDO1TDO2TNFGRM5
SCHEMBL2357319 0.79 KCNH2 (0.44) CSNK2A2IDO1TDO2GRM5TYK2
SCHEMBL13644195 0.75 CSNK2A2 (0.42) CSNK2A2
SCHEMBL3313894 0.73 PRKCQ (0.39) TYK2
SCHEMBL3312315 0.72 CSNK2A2 (0.46) CSNK2A2TYK2

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 2 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 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 (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-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885IDO1 2005/4885TDO2 4152/4885

“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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