SCHEMBL2395940

SCHEMBL2395940

CSc1ncnc2c(Br)scc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 2/20 0.33
PIP4K2C Q8TBX8 2/20 0.33
NOTUM Q6P988 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.30
PAX8 Q06710 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2235502 0.73 ALDH1A1 (0.35) ALDH1A1LMNAHTTPIP4K2CNOTUM
SCHEMBL29723106 0.73 ALDH1A1 (0.35) ALDH1A1LMNAHTTPIP4K2CNOTUM
SCHEMBL12261327 0.72 LIMK1 (0.41) ALDH1A1HSD17B10
SCHEMBL23519908 0.66 NPC1 (0.47) ALDH1A1LMNANOTUMTP53HSD17B10
SCHEMBL2232351 0.65 PDE4B (0.33) ALDH1A1LMNATP53HSD17B10
SCHEMBL2233009 0.65 ALDH1A1 (0.33) ALDH1A1LMNANOTUMTP53HSD17B10
SCHEMBL12432761 0.64 TP53 (0.36) ALDH1A1LMNATP53HSD17B10
SCHEMBL2395594 0.64 IRAK4 (0.38) ALDH1A1LMNAHTTTP53HSD17B10
SCHEMBL14731307 0.63 ALDH1A1 (0.33) ALDH1A1LMNANOTUMTP53HSD17B10
SCHEMBL4472087 0.63 ALDH1A1 (0.55) ALDH1A1LMNAHTTTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2719701-B1 Method for the preparation of thieno[3,4-d]pyrimidin-7-yl ribosides GILEAD SCIENCES INC (US) 2017-04-05 EP disclosed
EP-2719701-B1 Method for the preparation of thieno[3,4-d]pyrimidin-7-yl ribosides GILEAD SCIENCES INC (US) 2017-04-05 EP disclosed
US-9156872-B2 2′-azido substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
EP-2719701-A1 methods for the preparation of thieno[3,4-d]pyrimidin-7-yl ribosides GILEAD SCIENCES, INC. (US) 2014-04-16 EP disclosed
EP-2719701-A1 methods for the preparation of thieno[3,4-d]pyrimidin-7-yl ribosides GILEAD SCIENCES, INC. (US) 2014-04-16 EP disclosed
EP-2396340-B1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2013-12-18 EP disclosed
WO-2012142075-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-10-18 WO disclosed
EP-2396340-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2011-12-21 EP disclosed
US-8012942-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-8012942-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-8012942-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
WO-2010093608-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-19 WO disclosed
WO-2010093608-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-19 WO disclosed
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-12 US disclosed
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-12 US disclosed
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-12 US 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-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, TYMP, MTAP ALDH1A1 3094/4885LMNA 1447/4885HTT 3036/4885
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ADAR, SLC29A1, SLC28A1 ALDH1A1 271/4885LMNA 1948/4885HTT 3612/4885

“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.