SCHEMBL3314286

SCHEMBL3314286

CN1CCN(c2ccc(Nc3cc(NC4CC4)c4ncc(C#N)n4n3)cc2OC(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 5/20 0.47
▸ CSNK2A1 P68400 4/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ TYK2 P29597 8/20 0.46
▸ PKMYT1 Q99640 2/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ EML4 Q9HC35 2/20 0.41
▸ ALK Q9UM73 2/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ TNIK Q9UKE5 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ RET P07949 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ FLT3 P36888 1/20 0.39

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
SCHEMBL3312368 0.89 TYK2 (0.46) CSNK2A2CSNK2A1CSNK2BTYK2PKMYT1
SCHEMBL3310348 0.87 TYK2 (0.43) CSNK2A2CSNK2A1CSNK2BTYK2STAT3
SCHEMBL3310725 0.87 TYK2 (0.52) CSNK2A2CSNK2A1CSNK2BTYK2STAT3
SCHEMBL2358089 0.86 CSNK2A2 (0.51) CSNK2A2CSNK2A1CSNK2BTYK2STAT3
SCHEMBL12012921 0.86 CSNK2A2 (0.55) CSNK2A2CSNK2A1CSNK2BTYK2STAT3
SCHEMBL11996487 0.85 CSNK2A2 (0.56) CSNK2A2CSNK2A1CSNK2BTYK2STAT3
SCHEMBL3310711 0.85 TYK2 (0.51) CSNK2A2CSNK2A1CSNK2BTYK2STAT3
SCHEMBL12012923 0.83 CSNK2A2 (0.49) CSNK2A2CSNK2A1CSNK2BTYK2STAT3
SCHEMBL11996479 0.82 CSNK2A2 (0.51) CSNK2A2CSNK2A1CSNK2BTYK2STAT3
SCHEMBL3307874 0.82 CSNK2A2 (0.62) CSNK2A2CSNK2A1CSNK2BTYK2

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 6 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-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-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 (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 CSNK2A2 135/4885CSNK2A1 88/4885CSNK2B 140/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885CSNK2A1 88/4885CSNK2B 140/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885CSNK2A1 88/4885CSNK2B 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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