SCHEMBL22075152

SCHEMBL22075152

COC(=O)c1cnc2ccc(C#Cc3ccccc3F)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.40
GRM5 P41594 5/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
MKNK2 Q9HBH9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22075293 0.87 PTGDR2 (0.39) PSMD14HPGDKDR
SCHEMBL22075151 0.79 PSMD14 (0.42) PSMD14GRM5ALOX15HTTHPGD
SCHEMBL22075282 0.78 PSMD14 (0.46) PSMD14GRM5ALOX15HTTHPGD
SCHEMBL22102689 0.77 PSMD14 (0.43) PSMD14GRM5ALOX15HTTHPGD
SCHEMBL24230253 0.73 ALDH1A1 (0.51) GRM5HTTHPGDALDH1A1KMT2A
SCHEMBL28647317 0.71 PSMD14 (0.49) PSMD14ALOX15HTTHPGDALDH1A1
SCHEMBL22103149 0.70 ALDH1A1 (0.41) PSMD14ALOX15HTTHPGDALDH1A1
SCHEMBL22074963 0.70 PSMD14 (0.48) PSMD14ALOX15HTTHPGDALDH1A1
SCHEMBL22074907 0.70 PSMD14 (0.48) PSMD14ALOX15HTTHPGDALDH1A1
SCHEMBL3860359 0.70 KDM4E (0.51) PSMD14ALOX15HTTHPGDALDH1A1

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 12 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
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 4192/4885GRM5 981/4885ALOX15 2954/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 PSMD14 4192/4885GRM5 981/4885ALOX15 2954/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 PSMD14 4192/4885GRM5 981/4885ALOX15 2954/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 PSMD14 4192/4885GRM5 981/4885ALOX15 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.