SCHEMBL2458155

SCHEMBL2458155

Cc1cccc(CN2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.52
MKNK1 Q9BUB5 1/20 0.42
MAPT P10636 2/20 0.41
TNF P01375 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIK3CD O00329 1/20 0.39
GPR6 P46095 1/20 0.39
EGFR P00533 1/20 0.39
CLPP Q16740 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2456933 0.90 FAAH (0.62) FAAHMKNK1MAPTTNFALDH1A1
SCHEMBL2457310 0.88 FAAH (0.49) FAAHMKNK1MAPTEGFRHTT
SCHEMBL2460573 0.87 FAAH (0.46) FAAHTNFALDH1A1PIK3CD
SCHEMBL2456778 0.86 FAAH (0.49) FAAHALDH1A1EGFRHTT
SCHEMBL2458163 0.86 FAAH (0.44) FAAHMAPTTNFALDH1A1PIK3CD
SCHEMBL2460627 0.86 FAAH (0.44) FAAHMAPTTNFALDH1A1PIK3CD
SCHEMBL2458419 0.85 FAAH (0.56) FAAHTNFALDH1A1
SCHEMBL2458154 0.85 FAAH (0.46) FAAHMAPTTNFALDH1A1HTT
SCHEMBL2456821 0.85 FAAH (0.46) FAAHMAPTTNFALDH1A1PIK3CD
SCHEMBL2455012 0.84 FAAH (0.44) FAAHMAPTTNFALDH1A1PIK3CD

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 1/4885MKNK1 3686/4885MAPT 790/4885

“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.