SCHEMBL17021271

SCHEMBL17021271

NC(=O)c1nnc(Nc2ncc(C(=O)N3CCOCC3)s2)cc1NCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 6/20 0.46
▸ STAT6 P42226 2/20 0.46
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ ADORA2B P29275 1/20 0.38
▸ RPS6KB1 P23443 2/20 0.38
▸ SRC P12931 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ KDR P35968 1/20 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

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
SCHEMBL19010318 0.92 NTRK1 (0.46) NTRK1STAT6CCNT1CDK9ADORA2B
SCHEMBL17021272 0.83 NTRK1 (0.59) NTRK1STAT6JAK2JAK1TYK2
SCHEMBL17021310 0.79 TYK2 (0.61) NTRK1STAT6JAK2JAK1TYK2
SCHEMBL17021288 0.79 STAT6 (0.63) NTRK1STAT6JAK2JAK1TYK2
SCHEMBL17021400 0.79 NTRK1 (0.45) NTRK1STAT6ADORA2BSRCRIPK1
SCHEMBL17021294 0.78 STAT6 (0.47) NTRK1STAT6JAK2JAK1TYK2
SCHEMBL17021308 0.78 STAT6 (0.51) NTRK1STAT6JAK2JAK1TYK2
SCHEMBL17021279 0.77 GRM5 (0.48) NTRK1TYK2ADORA2BKDM4E
SCHEMBL17021403 0.76 NTRK1 (0.49) NTRK1STAT6TYK2JAK3ADORA2B
SCHEMBL19010321 0.75 NTRK1 (0.59) NTRK1STAT6JAK2JAK1TYK2

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 NTRK1 1410/4885STAT6 8/4885JAK2 2/4885

“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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