Sugi Predict

Sugi Predict / Compounds / SCHEMBL2460113

SCHEMBL2460113

SCHEMBL2460113

Cc1nc(C(F)(F)F)ccc1CN1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.43
▸ P2RX2 Q9UBL9 1/20 0.43
▸ FAAH O00519 10/20 0.42
▸ TRPV1 Q8NER1 3/20 0.40
▸ TNF P01375 1/20 0.39
▸ ULK1 O75385 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 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
SCHEMBL2457066 0.85 FAAH (0.47) FAAHTRPV1TNFKDM4EALDH1A1
SCHEMBL2458159 0.85 FAAH (0.44) FAAHTRPV1ULK1SLC22A12
SCHEMBL2458154 0.84 FAAH (0.46) FAAHTNFKDM4EALDH1A1
SCHEMBL2460627 0.83 FAAH (0.44) FAAHTNFKDM4EALDH1A1ALPL
SCHEMBL2456821 0.82 FAAH (0.46) FAAHTRPV1TNFKDM4EALDH1A1
SCHEMBL2456960 0.82 FAAH (0.46) FAAHTRPV1TNFULK1KDM4E
SCHEMBL2454929 0.82 ALPL (0.45) FAAHTRPV1ULK1KDM4EALDH1A1
SCHEMBL2455012 0.81 FAAH (0.44) FAAHTNFKDM4EALDH1A1
SCHEMBL2458163 0.81 FAAH (0.44) P2RX3P2RX2FAAHTNFKDM4E
SCHEMBL2463210 0.81 FAAH (0.46) FAAHTRPV1TNFULK1ALPL

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 P2RX3 749/4885P2RX2 886/4885FAAH 1/4885

“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.