SCHEMBL17021286

SCHEMBL17021286

NC(=O)c1nnc(Nc2ccc(C(=O)N3CCCC3)cc2)cc1NCc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.43
▸ JAK2 O60674 4/20 0.43
▸ JAK1 P23458 4/20 0.43
▸ JAK3 P52333 4/20 0.43
▸ STAT6 P42226 1/20 0.43
▸ GRM5 P41594 2/20 0.41
▸ BDKRB1 P46663 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ F10 P00742 3/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL19010326 0.91 TYK2 (0.42) TYK2JAK2JAK1JAK3STAT6
SCHEMBL17021273 0.90 TYK2 (0.45) TYK2JAK2JAK1JAK3STAT6
SCHEMBL17021290 0.89 STAT6 (0.40) TYK2JAK2JAK1JAK3STAT6
SCHEMBL17021403 0.85 NTRK1 (0.49) TYK2JAK3STAT6GRM5RPS6KB1
SCHEMBL17021422 0.84 GRM5 (0.45) TYK2JAK3STAT6GRM5F10
SCHEMBL17021276 0.83 STAT6 (0.62) TYK2JAK2JAK1JAK3STAT6
SCHEMBL19010323 0.81 TYK2 (0.44) TYK2JAK2JAK1JAK3GRM5
SCHEMBL17021291 0.81 STAT6 (0.49) TYK2JAK2JAK1JAK3STAT6
SCHEMBL17021266 0.79 STAT6 (0.52) TYK2JAK2JAK1JAK3STAT6
SCHEMBL17021435 0.79 AURKA (0.39) TYK2JAK2JAK1JAK3STAT6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834548-B2 Pyridazine compounds as JAK inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-9834548-B2 Pyridazine compounds as JAK inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS ALEXION PHARMACEUTICALS, INC. 2017-06-22 — — US disclosed
US-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS ALEXION PHARMACEUTICALS, INC. 2017-06-22 — — US disclosed
WO-2015123453-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-20 — — 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 (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-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS JAK1, JAK2, JAK3 TYK2 4/4885JAK2 2/4885JAK1 1/4885

“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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