Sugi Predict

Sugi Predict / Compounds / SCHEMBL2456828

SCHEMBL2456828

SCHEMBL2456828

Cc1nc(C)c(NC(=O)N2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TNF P01375 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ FAAH O00519 9/20 0.38
▸ MITF O75030 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ KDR P35968 3/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36

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
SCHEMBL2454968 0.86 TNF (0.42) NPC1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL2457038 0.86 TNF (0.39) NPC1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL2455004 0.85 NPC1 (0.53) NPC1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL2457032 0.84 TNF (0.41) NPC1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL3346283 0.81 FAAH (0.46) NPC1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL2459586 0.78 FAAH (0.47) KDM4ETNFFAAH
SCHEMBL2463733 0.77 FAAH (0.45) NPC1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL2457036 0.77 TNF (0.39) NPC1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL2455001 0.77 LCK (0.51) NPC1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL2456994 0.77 FAAH (0.44) KDM4ERAB9ATNFFAAHKDR

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 7 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
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 NPC1 2479/4885KDM4E 3669/4885SMN1; 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.