SCHEMBL2456960

SCHEMBL2456960

Fc1ccccc1CN1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.46
ALPL P05186 1/20 0.38
TNF P01375 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ULK1 O75385 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM4 Q14833 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL2457104 0.93 FAAH (0.44) FAAHALPLTNFKDM4EULK1
SCHEMBL2456821 0.88 FAAH (0.46) FAAHTNFKDM4ENPC1ALDH1A1
SCHEMBL2456442 0.88 FAAH (0.51) FAAHALPLTNFKDM4ENPC1
SCHEMBL2458154 0.88 FAAH (0.46) FAAHTNFKDM4ENPC1ALDH1A1
SCHEMBL2458159 0.88 FAAH (0.44) FAAHULK1TRPV1
SCHEMBL2457202 0.87 IGF1R (0.47) FAAHALPLKDM4ENPC1ALDH1A1
SCHEMBL2454929 0.86 ALPL (0.45) FAAHALPLKDM4EULK1NPC1
SCHEMBL2459369 0.86 FAAH (0.43) FAAHTNFKDM4ENPC1ALDH1A1
SCHEMBL2456933 0.86 FAAH (0.62) FAAHTNFKDM4ENPC1ALDH1A1
SCHEMBL2457122 0.86 FAAH (0.44) FAAHTNFKDM4EULK1NPC1

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 9 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
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 1/4885ALPL 4776/4885TNF 679/4885

“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.