SCHEMBL2490443

SCHEMBL2490443

COC(=O)C1=C(N)CN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CASP3 P42574 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.44
MAPK8 P45983 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL5781730 0.90 CHRM2 (0.52) MEN1KMT2ACASP3SMN1; SMN2CYP1A2
SCHEMBL4350099 0.88 CHRM2 (0.50) MEN1KMT2ACASP3SMN1; SMN2CHRM2
SCHEMBL3546944 0.88 CHRM2 (0.53) MEN1KMT2ACASP3SMN1; SMN2CYP1A2
SCHEMBL7917885 0.86 LMNA (0.53) MEN1KMT2ACASP3SMN1; SMN2CHRM2
SCHEMBL5775036 0.85 CHRM2 (0.49) MEN1KMT2ACASP3SMN1; SMN2CYP1A2
SCHEMBL19080543 0.84 CHRM2 (0.48) MEN1KMT2ACASP3SMN1; SMN2CHRM2
SCHEMBL2884092 0.78 CHRM2 (0.54) MEN1KMT2ASMN1; SMN2CHRM2CHRM4
SCHEMBL8341518 0.77 CHRM2 (0.53) MEN1KMT2ASMN1; SMN2CHRM2CHRM4
SCHEMBL2487979 0.77 CHRM2 (0.42) MEN1KMT2ACASP3SMN1; SMN2CHRM2
SCHEMBL2487978 0.77 CHRM2 (0.42) MEN1KMT2ACASP3SMN1; SMN2CHRM2

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
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
EP-2364316-A1 6, 7 -dihydro- 5h- pyrrolo [3, 4-d¨pyrimidin-4-yl]-quinolin-3 -ylamine compounds useful as FAAH modulators and uses thereof Renovis, Inc. (US) 2011-09-14 EP disclosed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 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-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF FAAH, FAAH2, CNR2 MEN1 3296/4885KMT2A 3412/4885CASP3 2882/4885

“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.