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SCHEMBL2456446

SCHEMBL2456446

c1ccc2ncc(Nc3ncnc4c3CN(Cc3cscn3)C4)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.45
▸ ERBB2 P04626 4/20 0.39
▸ TNF P01375 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ IGF1R P08069 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
SCHEMBL2457120 0.85 FAAH (0.44) FAAHTNFGRM4KDM4EIGF1R
SCHEMBL2456933 0.84 FAAH (0.62) FAAHERBB2TNFGRM4KDM4E
SCHEMBL2458587 0.83 FAAH (0.45) FAAHTNFGRM4KDM4ENPC1
SCHEMBL2457811 0.82 FAAH (0.44) FAAHTNFGRM4KDM4ENPC1
SCHEMBL2461611 0.82 FAAH (0.48) FAAHERBB2TNFGRM4EGFR
SCHEMBL2457305 0.82 FAAH (0.48) FAAHTNFGRM4RAB9AHSD17B10
SCHEMBL2458419 0.82 FAAH (0.56) FAAHTNFGRM4NPC1RAB9A
SCHEMBL2458785 0.81 FAAH (0.44) FAAHTNFGRM4KDM4ERAB9A
SCHEMBL2457404 0.81 FAAH (0.47) FAAHTNFGRM4IGF1R
SCHEMBL2455786 0.81 FAAH (0.45) FAAHTNFGRM4KDM4EIGF1R

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 1/4885ERBB2 3066/4885TNF 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.