SCHEMBL2463640

SCHEMBL2463640

c1ccc2ncc(Nc3ncnc4c3CN(CC3CCOCC3)C4)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.53
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 6/20 0.39
IGF1R P08069 1/20 0.38
RIPK3 Q9Y572 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
TNF P01375 1/20 0.36
ULK1 O75385 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
SCHEMBL2531173 0.95 FAAH (0.50) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2459086 0.93 FAAH (0.57) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2458662 0.91 FAAH (0.60) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2456948 0.91 FAAH (0.62) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2457322 0.90 FAAH (0.64) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2456865 0.90 FAAH (0.53) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2458520 0.89 FAAH (0.53) FAAHIGF1RTNFULK1
SCHEMBL2531475 0.88 FAAH (0.56) FAAHAXLMERTKTNF
SCHEMBL2456460 0.83 FAAH (0.52) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2460834 0.83 FAAH (0.54) FAAHIGF1RTNFULK1

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 1/4885KDM4E 3669/4885NPC1 2479/4885

“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.