SCHEMBL22075282

SCHEMBL22075282

C#Cc1ccc2ncc(C(=O)OC)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.46
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2A1 P68400 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
GRM5 P41594 1/20 0.37
HPGDS O60760 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 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
SCHEMBL22075151 0.84 PSMD14 (0.42) PSMD14HPGDALOX15HTTMAPK1
SCHEMBL22102689 0.82 PSMD14 (0.43) PSMD14HPGDALOX15HTTMAPK1
SCHEMBL28647317 0.81 PSMD14 (0.49) PSMD14HPGDALOX15HTTMAPK1
SCHEMBL22074907 0.79 PSMD14 (0.48) PSMD14HPGDALOX15HTTMAPK1
SCHEMBL3860359 0.79 KDM4E (0.51) PSMD14HPGDALOX15HTTMAPK1
SCHEMBL26009759 0.79 PSMD14 (0.48) PSMD14HPGDALOX15HTTMAPK1
SCHEMBL22074963 0.79 PSMD14 (0.48) PSMD14HPGDALOX15HTTMAPK1
SCHEMBL23416636 0.79 ALOX15 (0.49) PSMD14HPGDALOX15HTTMAPK1
SCHEMBL22075152 0.78 PSMD14 (0.40) PSMD14HPGDALOX15HTTL3MBTL1
SCHEMBL4550568 0.77 MAPK1 (0.61) MAPK1KDM4EL3MBTL1NPC1RAB9A

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 13 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-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
EP-3894401-A2 NAPHTHYRIDINE AND QUINOLINE DERIVATIVES USEFUL AS ALK5 INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2021-10-20 EP disclosed
CN-113195467-A Naphthyridine and quinoline derivatives useful as ALK5 inhibitors 施万生物制药研发IP有限责任公司 2021-07-30 CN disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 US disclosed
WO-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 WO disclosed
WO-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 WO disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 US disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 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 (4 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-10952996-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 PSMD14 4192/4885HPGD 4578/4885ALOX15 2954/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 PSMD14 4192/4885HPGD 4578/4885ALOX15 2954/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 PSMD14 4192/4885HPGD 4578/4885ALOX15 2954/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 PSMD14 4192/4885HPGD 4578/4885ALOX15 2954/4885

“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.