SCHEMBL2454968

SCHEMBL2454968

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.42
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
FAAH O00519 7/20 0.39
SIGLEC9 Q9Y336 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
MITF O75030 1/20 0.37
XBP1 P17861 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
KDR P35968 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 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
SCHEMBL2456828 0.86 NPC1 (0.43) TNFNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2457032 0.85 TNF (0.41) TNFNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2457038 0.84 TNF (0.39) TNFNPC1SMN1; SMN2RAB9APOLB
SCHEMBL3346283 0.82 FAAH (0.46) TNFNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2463733 0.81 FAAH (0.45) TNFNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2459586 0.80 FAAH (0.47) TNFFAAHKDM4EALDH1A1LMNA
SCHEMBL2455004 0.79 NPC1 (0.53) NPC1SMN1; SMN2RAB9APOLBMAPT
SCHEMBL2456994 0.79 FAAH (0.44) TNFRAB9AFAAHKDM4EKDR
SCHEMBL2455439 0.78 MKNK1 (0.51) TNFNPC1SMN1; SMN2RAB9APOLB
SCHEMBL2457036 0.77 TNF (0.39) TNFNPC1SMN1; SMN2RAB9AFAAH

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 TNF 679/4885NPC1 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.