SCHEMBL2486669

SCHEMBL2486669

Cc1[nH]ncc1C(C)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
FAAH O00519 9/20 0.38
GRM4 Q14833 1/20 0.38
SYK P43405 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
PIK3CA P42336 1/20 0.36
IGF1R P08069 1/20 0.35
OGA O60502 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALPL P05186 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
SCHEMBL2455656 0.84 FAAH (0.46) TNFFAAHGRM4TRPV1CCNE2
SCHEMBL2536956 0.83 FAAH (0.43) TNFFAAHGRM4TRPV1CCNE2
SCHEMBL2463768 0.81 FAAH (0.43) TNFFAAHGRM4TRPV1CCNE2
SCHEMBL2457411 0.79 FAAH (0.42) TNFFAAHGRM4TRPV1CCNE2
SCHEMBL2456458 0.79 FAAH (0.45) TNFFAAHGRM4TRPV1CCNE2
SCHEMBL2490330 0.79 FAAH (0.42) TNFFAAHGRM4TRPV1CCNE2
SCHEMBL2460833 0.79 FAAH (0.45) TNFFAAHGRM4SYKTRPV1
SCHEMBL2460298 0.78 TRPV1 (0.40) TNFFAAHGRM4SYKTRPV1
SCHEMBL7903064 0.78 FAAH (0.48) TNFFAAHGRM4TRPV1CCNE2
SCHEMBL2458877 0.78 FAAH (0.47) TNFFAAHTRPV1CCNE2CCNE1

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 6 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 claimed
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 claimed
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 claimed
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 TNF 679/4885FAAH 1/4885GRM4 280/4885

“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.