SCHEMBL17021422

SCHEMBL17021422

NC(=O)c1nnc(Nc2ccc(C(=O)N3CCCC3)cc2)cc1NCc1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.45
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ STAT6 P42226 1/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ NTRK1 P04629 3/20 0.40
▸ TYK2 P29597 1/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ F10 P00742 2/20 0.38
▸ PRSS1 P07477 2/20 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
SCHEMBL17021403 0.92 NTRK1 (0.49) GRM5ADORA2BSTAT6JAK3IRAK4
SCHEMBL17021273 0.86 TYK2 (0.45) GRM5STAT6JAK3TYK2POLB
SCHEMBL17021272 0.84 NTRK1 (0.59) STAT6JAK3NTRK1TYK2POLB
SCHEMBL17021282 0.84 NTRK1 (0.51) STAT6JAK3IRAK4NTRK1
SCHEMBL17021286 0.84 TYK2 (0.43) GRM5STAT6JAK3TYK2POLB
SCHEMBL19010311 0.83 NTRK1 (0.51) GRM5ADORA2BNTRK1TYK2HPGD
SCHEMBL17021295 0.81 STAT6 (0.62) STAT6JAK3TYK2
SCHEMBL17021313 0.81 ADORA2B (0.43) ADORA2BSTAT6JAK3IRAK4NTRK1
SCHEMBL17021275 0.81 GAA (0.52) STAT6
SCHEMBL17021279 0.81 GRM5 (0.48) GRM5ADORA2BNTRK1TYK2POLB

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 GRM5 1107/4885ADORA2A 1931/4885ADORA2B 3086/4885

“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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