SCHEMBL6177216

SCHEMBL6177216

CSc1cc(C#N)cc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
VCAM1 P19320 2/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RHEB Q15382 1/20 0.31

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
SCHEMBL30824106 1.00 GRM5 (0.38) GRM5VCAM1MEN1KMT2AGLA
SCHEMBL901915 0.79 GRM5 (0.46) GRM5VCAM1MEN1KMT2ATTR
SCHEMBL24156964 0.77 MEN1 (0.36) MEN1KMT2AHTTTTRALB
SCHEMBL30253314 0.77 MEN1 (0.36) MEN1KMT2AHTTTTRALB
SCHEMBL583616 0.74 GRM5 (0.48) GRM5VCAM1MEN1KMT2AKDM4E
SCHEMBL1532341 0.73 TRPM8 (0.41) MEN1KMT2ATSHRHTTMAPT
SCHEMBL11620108 0.69 GRM5 (0.41) GRM5VCAM1HTTL3MBTL1
SCHEMBL7088876 0.69 MAPT (0.39) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13045682 0.69 GRM5 (0.41) GRM5VCAM1MEN1KMT2ATTR
SCHEMBL11296944 0.69 GRM5 (0.51) GRM5VCAM1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343056-A Pyridopyrrole derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-01-05 CN disclosed
EP-1427725-B1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AG (DE) 2005-03-23 EP disclosed
US-20040235667-A1 Pyrazolyl-substituted thienyloxypyridines BASF AKTIENGESELLSCHAFT (DE) 2004-11-25 US disclosed
EP-1427725-A1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2004-06-16 EP disclosed
WO-2003022843-A1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-03-20 WO 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 (1 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-20040235667-A1 Pyrazolyl-substituted thienyloxypyridines HDHD5, CBR3, KCNH3 GRM5 2697/4885VCAM1 4556/4885MEN1 4396/4885

“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.