SCHEMBL17021270

SCHEMBL17021270

CN(C(=O)C1CC1)c1ccc(Nc2cc(NCc3cccc(F)c3F)c(C(N)=O)nn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 17/20 0.42
▸ STAT6 P42226 1/20 0.38
▸ AURKA O14965 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ KCNH2 Q12809 5/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 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
SCHEMBL19010283 0.93 SYK (0.38) SYKSTAT6AURKAPDPK1RPS6KB1
SCHEMBL17021267 0.87 SYK (0.39) SYKSTAT6AURKAPDPK1RPS6KB1
SCHEMBL19010300 0.80 GUCY1A1 (0.34) SYKSTAT6AURKAPDPK1RPS6KB1
SCHEMBL17021291 0.79 STAT6 (0.49) SYKSTAT6JAK2JAK1TYK2
SCHEMBL17021435 0.79 AURKA (0.39) SYKSTAT6AURKAPDPK1RPS6KB1
SCHEMBL17021328 0.79 JAK3 (0.48) STAT6JAK2JAK1TYK2JAK3
SCHEMBL17021340 0.78 SYK (0.47) SYKSTAT6KCNH2JAK2JAK1
SCHEMBL17021342 0.78 JAK3 (0.43) STAT6JAK2JAK1TYK2JAK3
SCHEMBL17021276 0.77 STAT6 (0.62) STAT6JAK2JAK1TYK2JAK3
SCHEMBL17021286 0.77 TYK2 (0.43) STAT6AURKAPDPK1RPS6KB1JAK2

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 SYK 248/4885STAT6 8/4885AURKA 175/4885

“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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