SCHEMBL3313759

SCHEMBL3313759

N#Cc1cc(Nc2cc(NCCN3CCOCC3)c3ncc(C#N)n3n2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ ABL1 P00519 3/20 0.45
▸ BCR P11274 3/20 0.45
▸ MAP3K8 P41279 7/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ CSNK2A2 P19784 2/20 0.37
▸ CSNK2A1 P68400 2/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MAPK13 O15264 3/20 0.36
▸ SRC P12931 3/20 0.36
▸ MAPK12 P53778 3/20 0.36
▸ MAP2K1 Q02750 3/20 0.36
▸ MAPK11 Q15759 3/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCH P24723 1/20 0.36

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
SCHEMBL12013157 0.85 TYK2 (0.53) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL3313699 0.85 TYK2 (0.55) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL13641453 0.85 TYK2 (0.53) TYK2STAT3CSNK2A2CSNK2A1IRAK4
SCHEMBL3315693 0.84 TYK2 (0.55) TYK2STAT3CSNK2A2CSNK2A1IRAK4
SCHEMBL2309014 0.82 TYK2 (0.51) TYK2STAT3CSNK2A2CSNK2A1IRAK4
SCHEMBL13421889 0.80 ABL1 (0.47) TYK2STAT3ABL1BCRPIM1
SCHEMBL2309382 0.80 TYK2 (0.56) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL3311204 0.79 TYK2 (0.75) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL2356721 0.78 TYK2 (0.54) TYK2STAT3CSNK2A2CSNK2A1IRAK4
SCHEMBL3313533 0.78 TYK2 (0.54) TYK2STAT3ALDH1A1

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 15 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-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
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 764/4885ABL1 13/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885STAT3 764/4885ABL1 13/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885STAT3 764/4885ABL1 13/4885

“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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