SCHEMBL22074993

SCHEMBL22074993

C[Si](C)(C)C#Cc1ccc2ncccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
KCNH2 Q12809 4/20 0.47
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
PDE10A Q9Y233 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TGFBR1 P36897 4/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26009656 0.79 GRM5 (0.46) GRM5KCNH2ALDH1A1CYP3A4KDM4E
SCHEMBL5099192 0.77 GRM5 (0.61) GRM5KCNH2ALDH1A1CYP3A4KDM4E
SCHEMBL18024103 0.76 GRM5 (0.44) GRM5KCNH2ALDH1A1CYP3A4KDM4E
SCHEMBL22102477 0.75 GRM5 (0.42) GRM5KCNH2ALDH1A1CYP3A4KDM4E
SCHEMBL1997041 0.74 ALDH1A1 (0.45) GRM5KCNH2ALDH1A1CYP3A4KDM4E
SCHEMBL22075181 0.74 ALDH1A1 (0.45) GRM5KCNH2ALDH1A1CYP3A4KDM4E
SCHEMBL2008467 0.74 ALDH1A1 (0.45) GRM5KCNH2ALDH1A1CYP3A4KDM4E
SCHEMBL28546795 0.73 ALDH1A1 (0.43) GRM5KCNH2ALDH1A1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL27619884 0.73 ALDH1A1 (0.43) GRM5KCNH2ALDH1A1CYP3A4KDM4E
SCHEMBL6861227 0.72 GRM5 (0.42) GRM5ALDH1A1CYP3A4KDM4ENPC1

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 GRM5 981/4885KCNH2 3131/4885ALDH1A1 3284/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 GRM5 981/4885KCNH2 3131/4885ALDH1A1 3284/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 GRM5 981/4885KCNH2 3131/4885ALDH1A1 3284/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 GRM5 981/4885KCNH2 3131/4885ALDH1A1 3284/4885

“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.