SCHEMBL2457066

SCHEMBL2457066

Cc1ncccc1CN1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.47
TNF P01375 1/20 0.42
GRM4 Q14833 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
EGFR P00533 2/20 0.37
ERBB2 P04626 1/20 0.37
ERBB4 Q15303 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALPL P05186 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL2458154 0.90 FAAH (0.46) FAAHTNFGRM4KDM4EALDH1A1
SCHEMBL2456821 0.88 FAAH (0.46) FAAHTNFGRM4TRPV1KDM4E
SCHEMBL2455012 0.87 FAAH (0.44) FAAHTNFKDM4EALDH1A1NPC1
SCHEMBL2458021 0.87 FAAH (0.47) FAAHTNFGRM4TRPV1EGFR
SCHEMBL2457174 0.86 FAAH (0.46) FAAHTNFGRM4TRPV1IGF1R
SCHEMBL2457202 0.86 IGF1R (0.47) FAAHEGFRKDM4EALDH1A1ALPL
SCHEMBL2456442 0.86 FAAH (0.51) FAAHTNFKDM4EALDH1A1ALPL
SCHEMBL2456960 0.86 FAAH (0.46) FAAHTNFGRM4TRPV1KDM4E
SCHEMBL2458163 0.85 FAAH (0.44) FAAHTNFKDM4EALDH1A1ALPL
SCHEMBL2456721 0.85 FAAH (0.44) FAAHTNFGRM4TRPV1KDM4E

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 8 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
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
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 FAAH 1/4885TNF 679/4885GRM4 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.