SCHEMBL3313309

SCHEMBL3313309

CCN(CC)CCNC(=O)c1cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)cc(-n2cncn2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ PDE4D Q08499 1/20 0.36
▸ CSNK2A2 P19784 5/20 0.36
▸ CSNK2A1 P68400 4/20 0.36
▸ CSNK2B P67870 2/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ IGF1R P08069 4/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ HIPK1 Q86Z02 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ HIPK2 Q9H2X6 1/20 0.32
▸ HIPK3 Q9H422 1/20 0.32
▸ STK17A Q9UEE5 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL13421563 0.90 TYK2 (0.43) TYK2STAT3PDE4DIKBKBIGF1R
SCHEMBL3310271 0.88 TYK2 (0.44) TYK2STAT3PDE4DCSNK2A2CSNK2A1
SCHEMBL3313417 0.85 TYK2 (0.50) TYK2STAT3PDE4DCSNK2A2CSNK2A1
SCHEMBL3309676 0.85 TTK (0.43) TYK2STAT3PDE4D
SCHEMBL3315535 0.83 TYK2 (0.45) TYK2STAT3PDE4DCSNK2A2CSNK2A1
SCHEMBL3313398 0.81 TYK2 (0.44) TYK2STAT3CSNK2A2CSNK2A1
SCHEMBL2359283 0.81 TYK2 (0.51) TYK2STAT3PDE4DCSNK2A2CSNK2A1
SCHEMBL3313390 0.81 TYK2 (0.42) TYK2STAT3PDE4DCSNK2A2CSNK2A1
SCHEMBL3313165 0.80 TYK2 (0.47) TYK2STAT3PDE4DCSNK2A2CSNK2A1
SCHEMBL3313406 0.79 TYK2 (0.38) TYK2STAT3CSNK2A2CSNK2A1CSNK2B

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 764/4885PDE4D 1445/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885STAT3 764/4885PDE4D 1445/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885STAT3 764/4885PDE4D 1445/4885

“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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