SCHEMBL5033988

SCHEMBL5033988

CCC(Nc1nc(N)nc(N(c2ccc(OC)c(Cl)c2)C2CN3CCC2CC3)n1)C1CCCN1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM3 P20309 4/20 0.32
HRH4 Q9H3N8 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL5033979 0.77 DRD2 (0.40) MAPT
SCHEMBL6820253 0.76 MAPK1 (0.37) SMN1; SMN2
SCHEMBL4829530 0.76 MAPT (0.40) SMN1; SMN2MAPT
SCHEMBL6207668 0.74 MAPK1 (0.35)
SCHEMBL5554478 0.73 SMN1; SMN2 (0.38) SMN1; SMN2MAPT
SCHEMBL5554547 0.72 SMN1; SMN2 (0.37) SMN1; SMN2MAPT
SCHEMBL6208951 0.71 PGR (0.31)
SCHEMBL5553543 0.70 MAPK1 (0.37)
SCHEMBL5445013 0.70 MAPT (0.45) MAPT
SCHEMBL6207968 0.70 GALR1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 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 (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-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CHRM5 3975/4885CHRM1 4669/4885CHRM3 4229/4885

“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.