SCHEMBL6702369

SCHEMBL6702369

O=C(NCc1ccccc1)c1cc2c(s1)CN(Cc1ccc(F)c(F)c1)C=N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PTGER4 P35408 1/20 0.44
ALDH1A1 P00352 2/20 0.42
S1PR3 Q99500 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.39
MAOB P27338 1/20 0.39
CACNA1G O43497 2/20 0.39
CACNA1H O95180 2/20 0.39
CACNA1I Q9P0X4 2/20 0.39
CSNK2A2 P19784 2/20 0.38
KDR P35968 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
PLK1 P53350 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
SCHEMBL6702598 0.85 SIGMAR1 (0.36) PTGER4ALDH1A1S1PR3SIGMAR1CACNA1G
SCHEMBL6292786 0.81 KDM4E (0.51) KDM4ESMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL6699473 0.79 MAOB (0.45) SMN1; SMN2PTGER4ALDH1A1S1PR3MAPT
SCHEMBL6696771 0.76 PTGER4 (0.45) SMN1; SMN2PTGER4S1PR3SIGMAR1MAPT
SCHEMBL6818720 0.74 PTGER4 (0.50) SMN1; SMN2PTGER4MAPTTP53MAOB
SCHEMBL6700597 0.71 KDM4E (0.50) KDM4ESMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL6705194 0.70 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL6696785 0.70 MCHR1 (0.42) MEN1KMT2APTGER4ALDH1A1SIGMAR1
SCHEMBL6698254 0.70 MEN1 (0.52) SMN1; SMN2MEN1KMT2APTGER4ALDH1A1
SCHEMBL6704724 0.69 TP53 (0.50) SMN1; SMN2PTGER4ALDH1A1MAPTTP53

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 KDM4E 1991/4885SMN1; SMN2 3684/4885MEN1 4003/4885

“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.