SCHEMBL19010348

SCHEMBL19010348

CC(=O)c1nnc(Nc2ccc(C[S+](C)[O-])cc2)cc1NCc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.41
▸ BRAF P15056 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ NTRK1 P04629 5/20 0.37
▸ JAK3 P52333 4/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ PTK2 Q05397 1/20 0.36
▸ RPS6KB1 P23443 2/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35

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
SCHEMBL17021379 0.92 CDC7 (0.42) FFAR1KDM5AKDM4CKDM5BNTRK1
SCHEMBL19010334 0.85 NTRK1 (0.42) FFAR1BRAFKDM5AKDM4CKDM5B
SCHEMBL19010335 0.84 FFAR1 (0.41) FFAR1BRAFKDM5AKDM4CKDM5B
SCHEMBL19010340 0.83 FFAR1 (0.44) FFAR1BRAFKDM5AKDM4CKDM5B
SCHEMBL19010307 0.82 PTK2 (0.41) FFAR1BRAFKDM5AKDM4CKDM5B
SCHEMBL19010336 0.82 NTRK1 (0.42) FFAR1BRAFKDM5AKDM4CKDM5B
SCHEMBL19010331 0.81 BRAF (0.52) BRAFKDM5AKDM4CKDM5BJAK3
SCHEMBL19010328 0.81 FFAR1 (0.40) FFAR1BRAFKDM5AKDM4CKDM5B
SCHEMBL17021385 0.80 PTK2 (0.39) FFAR1BRAFKDM5AKDM4CKDM5B
SCHEMBL19010330 0.80 PTK2 (0.41) FFAR1NTRK1JAK3PTK2JAK2

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 2 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

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 FFAR1 3862/4885BRAF 148/4885KDM5A 445/4885

“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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