SCHEMBL17021313

SCHEMBL17021313

Cc1cc(Nc2cc(NCc3cccc(F)c3)c(C(N)=O)nn2)ccc1C(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.43
▸ NTRK1 P04629 9/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ RPS6KB1 P23443 5/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ AURKA O14965 3/20 0.39
▸ JAK3 P52333 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL19010312 0.93 ADORA2B (0.44) ADORA2BNTRK1CDC7ROCK2MAP4K4
SCHEMBL17021327 0.90 NTRK1 (0.48) ADORA2BNTRK1CDC7ROCK2MAP4K4
SCHEMBL17021334 0.90 RPS6KB1 (0.46) ADORA2BNTRK1CDC7ROCK2MAP4K4
SCHEMBL17021403 0.89 NTRK1 (0.49) ADORA2BNTRK1CDC7ROCK2MAP4K4
SCHEMBL17021290 0.86 STAT6 (0.40) RPS6KB1STAT6AURKAJAK3JAK2
SCHEMBL17021329 0.85 CDC7 (0.44) NTRK1CDC7ROCK2MAP4K4PIM1
SCHEMBL19010298 0.84 NTRK1 (0.48) ADORA2BNTRK1
SCHEMBL17021282 0.84 NTRK1 (0.51) NTRK1STAT6JAK3IRAK4
SCHEMBL19010310 0.83 ADORA2B (0.42) ADORA2BNTRK1RPS6KB1AURKA
SCHEMBL19010311 0.82 NTRK1 (0.51) ADORA2BNTRK1

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 ADORA2B 3086/4885NTRK1 1410/4885CDC7 815/4885

“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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