Sugi Predict

Sugi Predict / Compounds / SCHEMBL2458437

SCHEMBL2458437

SCHEMBL2458437

CC(C)CN1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.46
▸ TNF P01375 1/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.40
▸ IGF1R P08069 1/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GRM5 P41594 1/20 0.35

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
SCHEMBL2457526 0.91 FAAH (0.44) FAAHTNFCCNE2CCNE1CDK2
SCHEMBL2456632 0.91 FAAH (0.46) FAAHTNFCCNE2CCNE1CDK2
SCHEMBL2457062 0.90 FAAH (0.46) FAAHTNFCCNE2CCNE1CDK2
SCHEMBL2455828 0.90 FAAH (0.45) FAAHTNFCCNE2CCNE1CDK2
SCHEMBL2457305 0.88 FAAH (0.48) FAAHTNFCCNE2CCNE1CDK2
SCHEMBL2461362 0.86 FAAH (0.48) FAAHTNFCCNE2CCNE1CDK2
SCHEMBL2455528 0.85 FAAH (0.46) FAAHTNFCCNE2CCNE1CDK2
SCHEMBL2460744 0.84 FAAH (0.46) FAAHTNFCDK2TRPV1IGF1R
SCHEMBL2456933 0.84 FAAH (0.62) FAAHTNFGRM4RAB9AKDM4E
SCHEMBL2455656 0.84 FAAH (0.46) FAAHTNFCCNE2CCNE1CDK2

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 679/4885CCNE2 2504/4885

“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.