SCHEMBL22075469

SCHEMBL22075469

O=C(Cc1ccc2ncc(Br)cc2c1)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.38
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
GRM1 Q13255 1/20 0.36
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
KCNQ5 Q9NR82 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL22102488 0.90 HDAC1 (0.40) GRM1KCNQ3KCNQ2KCNQ5MAOB
SCHEMBL26003352 0.82 KDM4E (0.42) GRM1
SCHEMBL22075266 0.82 ERCC5 (0.40) VNN1GRM1KCNQ3KCNQ2KCNQ5
SCHEMBL22074902 0.82 CES1 (0.54) VNN1CES2CES1KCNQ3KCNQ2
SCHEMBL22075124 0.81 PIK3CA (0.40) FGFR1FGFR4
SCHEMBL22075351 0.81 CES2 (0.36) VNN1CES2CES1KCNQ3KCNQ2
SCHEMBL22074806 0.78 PIK3CA (0.42) FGFR1FGFR4
SCHEMBL22103180 0.78 PIK3CA (0.40) FGFR1FGFR4
SCHEMBL3158828 0.77 GAA (0.44)
SCHEMBL25822604 0.74 GRM4 (0.42) CES2CES1

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 10 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
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
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 VNN1 3395/4885FGFR1 201/4885FGFR4 441/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 VNN1 3395/4885FGFR1 201/4885FGFR4 441/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 VNN1 3395/4885FGFR1 201/4885FGFR4 441/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 VNN1 3395/4885FGFR1 201/4885FGFR4 441/4885

“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.