SCHEMBL17021385

SCHEMBL17021385

CC(=O)c1nnc(Nc2ccc(C(C)(C)S(C)(=O)=O)cc2)cc1NCc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.39
▸ FFAR1 O14842 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ JAK3 P52333 4/20 0.36
▸ NTRK1 P04629 3/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ RPS6KB1 P23443 2/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ ANO1 Q5XXA6 1/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34

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
SCHEMBL17021355 0.92 JAK3 (0.41) PTK2JAK3NTRK1CDC7ROCK2
SCHEMBL19010334 0.87 NTRK1 (0.42) PTK2FFAR1BRAFKDM5AKDM4C
SCHEMBL19010335 0.86 FFAR1 (0.41) PTK2FFAR1BRAFKDM5AKDM4C
SCHEMBL19010340 0.85 FFAR1 (0.44) PTK2FFAR1BRAFKDM5AKDM4C
SCHEMBL19010328 0.85 FFAR1 (0.40) PTK2FFAR1BRAFKDM5AKDM4C
SCHEMBL19010330 0.84 PTK2 (0.41) PTK2FFAR1JAK3NTRK1JAK2
SCHEMBL19010307 0.81 PTK2 (0.41) PTK2FFAR1BRAFKDM5AKDM4C
SCHEMBL19010336 0.81 NTRK1 (0.42) PTK2FFAR1BRAFKDM5AKDM4C
SCHEMBL19010348 0.80 FFAR1 (0.41) PTK2FFAR1BRAFKDM5AKDM4C
SCHEMBL19010331 0.79 BRAF (0.52) BRAFKDM5AKDM4CKDM5BJAK3

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 3 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-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 PTK2 318/4885FFAR1 3862/4885BRAF 148/4885

“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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