SCHEMBL3313799

SCHEMBL3313799

N#Cc1cnc2c(Nc3ccccn3)cc(Nc3ccc(F)c(NC(=O)O)c3)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.40
▸ PDE4D Q08499 3/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ KDR P35968 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33

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
SCHEMBL17849713 0.92 TYK2 (0.38) TYK2PDE4DGRM4MEN1KMT2A
SCHEMBL2358576 0.91 TYK2 (0.37) TYK2PDE4DGRM4MEN1KMT2A
SCHEMBL2357817 0.85 TYK2 (0.38) TYK2PDE4DGRM4STAT3AURKA
SCHEMBL3313948 0.83 TYK2 (0.51) TYK2PDE4DSTAT3CDK2GSK3B
SCHEMBL3311950 0.81 DYRK3 (0.46) TYK2PDE4DPOLBMAPTAPEX1
SCHEMBL2358223 0.80 TYK2 (0.38) TYK2PDE4DMEN1KMT2APOLB
SCHEMBL3311783 0.78 TYK2 (0.39) TYK2PDE4DMEN1KMT2AKDR
SCHEMBL11996481 0.78 TYK2 (0.49) TYK2PDE4DSTAT3CDK2GSK3B
SCHEMBL13421523 0.78 TYK2 (0.40) TYK2PDE4DGRM4MEN1KMT2A
SCHEMBL3315482 0.76 CSNK2A1 (0.49) TYK2STAT3CDK2GSK3BHIPK2

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 8 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-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
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO 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 393/4885PDE4D 1445/4885GRM4 4096/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885PDE4D 1445/4885GRM4 4096/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885PDE4D 1445/4885GRM4 4096/4885

“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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