SCHEMBL17021279

SCHEMBL17021279

NC(=O)c1nnc(Nc2ccc(C(=O)N3CCCC3)cn2)cc1NCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.48
▸ NTRK1 P04629 6/20 0.47
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ADORA2B P29275 1/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ PRKAA2 P54646 2/20 0.42

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
SCHEMBL19010316 0.92 GRM5 (0.48) GRM5NTRK1HPGDKDM4EALDH1A1
SCHEMBL17021403 0.89 NTRK1 (0.49) GRM5NTRK1ADORA2BTYK2
SCHEMBL17021313 0.82 ADORA2B (0.43) NTRK1ADORA2B
SCHEMBL17021282 0.82 NTRK1 (0.51) NTRK1
SCHEMBL17021272 0.82 NTRK1 (0.59) NTRK1HPGDALDH1A1POLBTYK2
SCHEMBL17021310 0.81 TYK2 (0.61) NTRK1TYK2
SCHEMBL17021422 0.81 GRM5 (0.45) GRM5NTRK1HPGDPOLBADORA2B
SCHEMBL19010311 0.80 NTRK1 (0.51) GRM5NTRK1HPGDALDH1A1ADORA2B
SCHEMBL17021327 0.80 NTRK1 (0.48) NTRK1HPGDPOLBADORA2B
SCHEMBL17021334 0.79 RPS6KB1 (0.46) NTRK1HPGDKDM4EALDH1A1ADORA2B

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 1107/4885NTRK1 1410/4885HPGD 1667/4885

“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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