SCHEMBL3814902

SCHEMBL3814902

CN(C)/C=C/C(=O)c1c(-c2cccc(C#N)c2)nc2sccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
F11 P03951 1/20 0.39
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
NR1I3 Q14994 3/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
PTGS2 P35354 2/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3814905 1.00 MAPT (0.41) MAPTTDP1F11UCHL1USP30
SCHEMBL3817098 0.83 F11 (0.45) MAPTF11NR1I3TP53GAA
SCHEMBL2746114 0.83 KMT2A (0.46) MAPTTDP1MEN1ALDH1A1RAB9A
SCHEMBL2746115 0.83 KMT2A (0.46) MAPTTDP1MEN1ALDH1A1RAB9A
SCHEMBL14392135 0.77 MAPT (0.43) MAPTF11UCHL1USP30HSD17B10
SCHEMBL3819022 0.76 PTGS2 (0.43) MAPTTDP1NR1I3GAATHRB
SCHEMBL3819019 0.76 PTGS2 (0.43) MAPTTDP1NR1I3GAATHRB
SCHEMBL13839386 0.72 GABRG2 (0.45) MAPTNR1I3TP53GAATHRB
SCHEMBL13024498 0.71 MEN1 (0.43) HSD17B10MEN1NPC1ALDH1A1RAB9A
SCHEMBL3755520 0.71 MAPT (0.53) MAPTTDP1GAAHSD17B10CYP1A2

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-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 US disclosed
US-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 US disclosed
EP-2013218-A2 RAF INHIBITORS AND THEIR USES ARQULE, INC. (US) 2009-01-14 EP disclosed
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 US disclosed
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 US disclosed
WO-2007123892-A2 RAF INHIBITORS AND THEIR USES ARQULE INC. (US) 2007-11-01 WO disclosed
WO-2007123892-A2 RAF INHIBITORS AND THEIR USES ARQULE INC. (US) 2007-11-01 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 (2 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-20070281955-A1 RAF inhibitors and their uses BRAF, RAF1, ARAF MAPT 3810/4885TDP1 2009/4885F11 1819/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF MAPT 3899/4885TDP1 2065/4885F11 1970/4885

“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.