SCHEMBL19620183

SCHEMBL19620183

COc1cc(-c2cc(Cl)ccc2C#CS(C)(C)C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
DYRK1A Q13627 1/20 0.38
ACVR2A P27037 7/20 0.37
TGFBR2 P37173 7/20 0.37
IDO1 P14902 1/20 0.35
GRM2 Q14416 1/20 0.35
TGFBR1 P36897 3/20 0.34
CYP3A4 P08684 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
KDM5A P29375 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
SCN9A Q15858 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL16114689 0.84 CNR1 (0.42) CNR1DYRK1AACVR2ATGFBR2GRM2
SCHEMBL17633299 0.82 AAK1 (0.46) CNR1DYRK1AACVR2ATGFBR2CYP3A4
SCHEMBL30995101 0.74 CNR1 (0.47) CNR1DYRK1AACVR2ATGFBR2IDO1
SCHEMBL23674568 0.72 CNR1 (0.44) CNR1DYRK1AACVR2ATGFBR2GRM2
SCHEMBL30042422 0.72 CNR1 (0.44) CNR1DYRK1AACVR2ATGFBR2GRM2
SCHEMBL28203431 0.71 CNR1 (0.44) CNR1DYRK1AACVR2ATGFBR2IDO1
SCHEMBL19620153 0.70 MAP4K4 (0.43) PDE3BPDE3A
SCHEMBL30078861 0.67
SCHEMBL676002 0.67
SCHEMBL30626327 0.67 LOX (0.55) CNR1DYRK1AACVR2ATGFBR2IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-22 US disclosed
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-29 US disclosed
US-9822102-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-21 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 (2 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-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders OGFOD1, VASP, PNPO CNR1 1212/4885DYRK1A 2791/4885ACVR2A 2556/4885
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS OGFOD1, PNPO, VASP CNR1 1092/4885DYRK1A 2096/4885ACVR2A 2974/4885

“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.