Sugi Predict

Sugi Predict / Compounds / SCHEMBL2463733

SCHEMBL2463733

SCHEMBL2463733

O=C(CCl)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 8/20 0.45
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TNF P01375 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDR P35968 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL3346283 0.88 FAAH (0.46) FAAHNPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL2457135 0.87 KDM4E (0.47) FAAHNPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL2531467 0.86 KDM4E (0.48) FAAHNPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL2535931 0.86 KDM4E (0.48) FAAHNPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL2455004 0.84 NPC1 (0.53) FAAHNPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL2457032 0.82 TNF (0.41) FAAHNPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL2455439 0.82 MKNK1 (0.51) FAAHNPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL2454968 0.81 TNF (0.42) FAAHNPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL2455001 0.80 LCK (0.51) FAAHNPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL2455326 0.80 FAAH (0.49) FAAHNPC1SMN1; SMN2HSD17B10KDM4E

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 6 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 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 1/4885NPC1 2479/4885SMN1; SMN2 1690/4885

“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.