SCHEMBL22075293

SCHEMBL22075293

COC(=O)c1cnc2ccc(C#Cc3cc(Cl)ccc3F)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.39
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
PSMD14 O00487 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CSNK2A1 P68400 2/20 0.36
PDPK1 O15530 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL22075152 0.87 PSMD14 (0.40) HPGDPSMD14KDR
SCHEMBL22075151 0.77 PSMD14 (0.42) MAPTPOLBMAPK1HPGDPSMD14
SCHEMBL22075282 0.76 PSMD14 (0.46) MAPTPOLBMAPK1HPGDPSMD14
SCHEMBL22102689 0.75 PSMD14 (0.43) MAPTMAPK1HPGDPSMD14CSNK2A1
SCHEMBL29940590 0.74 RXFP1 (0.53) MAPTPOLBMAPK1PSMD14RXFP1
SCHEMBL22074963 0.74 PSMD14 (0.48) MAPTPOLBMAPK1HPGDPSMD14
SCHEMBL22075092 0.72 NR4A2 (0.43) PTGDR2KDR
SCHEMBL22102873 0.71 CSF1R (0.37) S1PR1S1PR3MAPTPOLBMAPK1
SCHEMBL22075318 0.71 HPGD (0.38) S1PR1S1PR3MAPTPOLBMAPK1
SCHEMBL28647317 0.70 PSMD14 (0.49) MAPTPOLBMAPK1HPGDPSMD14

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 PTGDR2 3256/4885S1PR1 688/4885S1PR3 527/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 PTGDR2 3256/4885S1PR1 688/4885S1PR3 527/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 PTGDR2 3256/4885S1PR1 688/4885S1PR3 527/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 PTGDR2 3256/4885S1PR1 688/4885S1PR3 527/4885

“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.