SCHEMBL22075465

SCHEMBL22075465

CN(C)/C=C(\C(=O)c1ccc(F)c(F)c1)c1ccc2ncc(Br)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.37
HSD17B14 Q9BPX1 2/20 0.32
KCNQ3 O43525 3/20 0.32
KCNQ2 O43526 3/20 0.32
MAOB P27338 1/20 0.31
MCHR1 Q99705 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
PDPK1 O15530 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL29796523 0.85 TGFBR1 (0.32) HSD17B14TGFBR1
SCHEMBL23389910 0.85 TGFBR1 (0.32) HSD17B14TGFBR1
SCHEMBL26003336 0.85 ALDH1A1 (0.36) TGFBR1
SCHEMBL22075163 0.84 CYP11B1 (0.37)
SCHEMBL22075207 0.83 CES1 (0.49) CES1CES2HSD17B14KCNQ3KCNQ2
SCHEMBL22074890 0.81 CYP11B1 (0.33)
SCHEMBL23389909 0.79 TGFBR1 (0.41) TGFBR1
SCHEMBL29796675 0.79 TGFBR1 (0.41) TGFBR1
SCHEMBL25825358 0.79 CES2 (0.38) CES1CES2TGFBR1
SCHEMBL22075424 0.79 MRGPRX4 (0.34) MAOB

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 CES1 2682/4885CES2 3444/4885HSD17B14 1566/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 CES1 2682/4885CES2 3444/4885HSD17B14 1566/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 CES1 2682/4885CES2 3444/4885HSD17B14 1566/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 CES1 2682/4885CES2 3444/4885HSD17B14 1566/4885

“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.