SCHEMBL1991539

SCHEMBL1991539

CCOC(=O)c1cnc(SCc2ccccc2)nc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 1.00
ALDH1A1 P00352 9/20 1.00
NPC1 O15118 7/20 1.00
RAB9A P51151 7/20 1.00
TSHR P16473 4/20 1.00
NFKB1 P19838 2/20 1.00
NFKB2 Q00653 2/20 1.00
RELA Q04206 2/20 1.00
MAPT P10636 7/20 0.83
RECQL P46063 1/20 0.83
CYP1A2 P05177 1/20 0.81
CYP2D6 P10635 1/20 0.81
CYP2C9 P11712 1/20 0.81
CYP2C19 P33261 1/20 0.81
LMNA P02545 5/20 0.80
HPGD P15428 2/20 0.80
KMT2A Q03164 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
KDM4E B2RXH2 1/20 0.64
MAPK10 P53779 1/20 0.64

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
SCHEMBL5120763 0.83 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL1991090 0.83 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL5726284 0.80 ALDH1A1 (0.82) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL256224 0.79 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL29546526 0.79 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL1808077 0.77 RAB9A (0.62) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL9831489 0.77 NPC1 (0.77) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL5262701 0.76 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL6604256 0.76 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL16920965 0.74 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20110150961-A1 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2011-06-23 US disclosed
EP-2254640-A2 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2010-12-01 EP disclosed
WO-2009105484-A2 ANTI-INFECTIVE CATHETERS ANGIOTECH PHARMACEUTICALS, INC. (CA) 2009-08-27 WO disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
EP-1226144-B1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2006-12-27 EP disclosed
US-6642241-B1 Alkylamino- substituted dihydropyrimido-(4,5-d)pyrimidinone derivatives, inhibitors of p38, SYNTEX (U.S.A.) LLC 2003-11-04 US disclosed
US-6451804-B1 Heteroalkylamino-substituted bicyclic nitrogen heterocycles SYNTEX (U.S.A.) LLC 2002-09-17 US disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
EP-1226144-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-31 EP disclosed
WO-2001029041-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (4 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT SMN1; SMN2 850/4885ALDH1A1 3464/4885NPC1 1310/4885
US-20110150961-A1 ANTI-INFECTIVE CATHETERS NACA, PUF60, POLR1C SMN1; SMN2 2770/4885ALDH1A1 4513/4885NPC1 4600/4885
US-20070135458-A1 6-Substituted pyrido-pyrimidines P2RX6, P2RX1, P2RX7 SMN1; SMN2 2069/4885ALDH1A1 1244/4885NPC1 3852/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT SMN1; SMN2 850/4885ALDH1A1 3464/4885NPC1 1310/4885

“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.