SCHEMBL3285683

SCHEMBL3285683

Cc1cc(C)c(Nc2nc3c(C)c(C)cc(N)c3s2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.43
HSD17B10 Q99714 1/20 0.41
RAPGEF4 Q8WZA2 7/20 0.40
OPRM1 P35372 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
LCK P06239 2/20 0.36
GAA P10253 1/20 0.34

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
SCHEMBL3284393 0.76 CRHR1 (0.44) CRHR1HSD17B10RAPGEF4OPRM1LCK
SCHEMBL15188851 0.69 ALDH1A1 (0.51) CRHR1RAPGEF4OPRM1SMN1; SMN2LCK
SCHEMBL3286375 0.66 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2LCKGAA
SCHEMBL3284966 0.65 CRHR1 (0.71) CRHR1
SCHEMBL3286480 0.63 CRHR1 (0.76) CRHR1
SCHEMBL3286627 0.63 KMT2A (0.46) CRHR1RAPGEF4OPRM1SMN1; SMN2LCK
SCHEMBL502929 0.62 RAPGEF4 (1.00) RAPGEF4
SCHEMBL14940406 0.62 RAPGEF4 (0.54) CRHR1RAPGEF4
SCHEMBL22074675 0.62 HSD17B10 (0.61) HSD17B10SMN1; SMN2GAA
SCHEMBL8034037 0.62 RAPGEF4 (0.48) CRHR1RAPGEF4OPRM1SMN1; SMN2

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-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 CRHR1 4/4885HSD17B10 2322/4885RAPGEF4 1562/4885

“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.