SCHEMBL6696785

SCHEMBL6696785

O=C(NCc1ccccc1)C1CC2=C(CN(Cc3ccc(F)c(F)c3)C=N2)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
PTGER4 P35408 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
CLPP Q16740 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
PDPK1 O15530 1/20 0.37
CACNA1G O43497 1/20 0.36
NTRK1 P04629 1/20 0.36
MC4R P32245 1/20 0.36
ACKR3 P25106 1/20 0.35
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6696585 0.75 CLPP (0.33) SIGMAR1CLPPALDH1A1
SCHEMBL6696771 0.75 PTGER4 (0.45) MCHR1PTGER4SIGMAR1CLPPCACNA1G
SCHEMBL6288987 0.71 GID4 (0.40) MCHR1PTGER4ALDH1A1TSHRCACNA1G
SCHEMBL6702369 0.70 KDM4E (0.46) PTGER4SIGMAR1CLPPALDH1A1CACNA1G
SCHEMBL6699473 0.70 MAOB (0.45) MCHR1PTGER4CLPPALDH1A1CACNA1G
SCHEMBL6818720 0.66 PTGER4 (0.50) PTGER4CACNA1G
SCHEMBL6704368 0.65 ALDH1A1 (0.35) PTGER4SIGMAR1CLPPALDH1A1TSHR
SCHEMBL6704242 0.64 PTGER4 (0.36) PTGER4SIGMAR1CLPPALDH1A1TSHR
SCHEMBL6700621 0.64 ALDH1A1 (0.37) PTGER4SIGMAR1CLPPALDH1A1TSHR
SCHEMBL12641851 0.63 CACNA1G (0.47) ALDH1A1TSHRCACNA1GMC4RMEN1

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
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MCHR1 4689/4885PTGER4 1609/4885SIGMAR1 4366/4885

“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.