SCHEMBL6696771

SCHEMBL6696771

O=C(NCc1ccccc1)C1=NC2=C(C1)N=CN(Cc1ccc(F)c(F)c1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.45
S1PR3 Q99500 9/20 0.40
CACNA1G O43497 3/20 0.39
CACNA1H O95180 3/20 0.39
CACNA1I Q9P0X4 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
CLPP Q16740 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NTRK1 P04629 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL6702369 0.76 KDM4E (0.46) PTGER4S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL6699473 0.76 MAOB (0.45) PTGER4S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL6696785 0.75 MCHR1 (0.42) PTGER4CACNA1GSIGMAR1CLPPNTRK1
SCHEMBL6696579 0.74 CLPP (0.33) SIGMAR1CLPPTP53
SCHEMBL6818720 0.72 PTGER4 (0.50) PTGER4CACNA1GCACNA1HCACNA1ITP53
SCHEMBL6704368 0.69 ALDH1A1 (0.35) PTGER4S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL6288983 0.69 PTGER4 (0.40) PTGER4S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL6292786 0.67 KDM4E (0.51) PTGER4S1PR3MAPTSMN1; SMN2
SCHEMBL6699557 0.66 TP53 (0.47) PTGER4CLPPTP53MAPTSMN1; SMN2
SCHEMBL6704242 0.66 PTGER4 (0.36) PTGER4CACNA1GCACNA1HCACNA1ISIGMAR1

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 PTGER4 1609/4885S1PR3 1772/4885CACNA1G 4288/4885

“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.