SCHEMBL23416636

SCHEMBL23416636

C#Cc1ccc2ncc(C(=O)OC)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
PSMD14 O00487 1/20 0.45
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGDS O60760 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 2/20 0.39
MGAM O43451 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 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
SCHEMBL10466162 0.84 HTT (0.67) ALOX15HTTPSMD14MAPK1KDM4E
SCHEMBL26634006 0.80 ALOX15 (0.43) ALOX15HTTPSMD14MAPK1KDM4E
SCHEMBL30634254 0.80 ALOX15 (0.43) ALOX15HTTPSMD14MAPK1KDM4E
SCHEMBL20118976 0.80 ALOX15 (0.54) ALOX15HTTPSMD14MAPK1KDM4E
SCHEMBL1353856 0.80 ALOX15 (0.54) ALOX15HTTPSMD14MAPK1KDM4E
SCHEMBL31250404 0.80 ALOX15 (0.54) ALOX15HTTPSMD14MAPK1KDM4E
SCHEMBL22075282 0.79 PSMD14 (0.46) ALOX15HTTPSMD14GLRA3GLRB
SCHEMBL12184392 0.78 ALOX15 (0.52) ALOX15HTTPSMD14MAPK1KDM4E
SCHEMBL20178580 0.78 ALOX15 (0.52) ALOX15HTTPSMD14MAPK1KDM4E
SCHEMBL20799517 0.78 ALDH1A1 (0.62) ALOX15HTTHPGDSALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US 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 (2 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-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 ALOX15 2954/4885HTT 4622/4885PSMD14 4192/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 ALOX15 2954/4885HTT 4622/4885PSMD14 4192/4885

“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.