SCHEMBL12013121

SCHEMBL12013121

N#Cc1cnc2c(Nc3ccn(CCO)n3)cc(Cl)nn12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 8/20 0.37
▸ CSNK2A1 P68400 7/20 0.37
▸ MAPK1 P28482 1/20 0.34
▸ TGFBR1 P36897 3/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ AR P10275 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ IGF1R P08069 1/20 0.30
▸ ERN1 O75460 3/20 0.30
▸ MAP3K14 Q99558 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
SCHEMBL13644210 0.87 CSNK2A2 (0.33) CSNK2A2CSNK2A1MAPK1TGFBR1PDE4A
SCHEMBL2358715 0.83 CSNK2A2 (0.33) CSNK2A2CSNK2A1IRAK4
SCHEMBL25274583 0.74 HCAR3 (0.41) —
SCHEMBL30968211 0.74 HCAR3 (0.41) —
SCHEMBL25678250 0.73 KDM4E (0.36) CSNK2A2CSNK2A1
SCHEMBL2356865 0.72 PRKCQ (0.38) CSNK2A2PDE4D
SCHEMBL3018033 0.71 KDM4E (0.42) MAPK1
SCHEMBL3309226 0.70 CSNK2A2 (0.41) CSNK2A2CSNK2A1TGFBR1IRAK4ERN1
SCHEMBL19742684 0.69 CSNK2A2 (0.49) CSNK2A2CSNK2A1ERN1
SCHEMBL2357939 0.68 CSNK2A2 (0.37) CSNK2A2CSNK2A1TGFBR1

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 135/4885CSNK2A1 88/4885MAPK1 46/4885

“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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