SCHEMBL1787663

SCHEMBL1787663

CNc1nccc(CO)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CCR1 P32246 1/20 0.39
FLT3 P36888 2/20 0.37
PDE6D O43924 2/20 0.37
AKT3 Q9Y243 5/20 0.37
SRC P12931 2/20 0.37
CDK2 P24941 2/20 0.37
ZAP70 P43403 2/20 0.37
SYK P43405 2/20 0.37
DYRK1A Q13627 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
AURKA O14965 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
SCHEMBL805468 0.82 PDE6D (0.38) FLT3PDE6DAKT3CDK2SYK
SCHEMBL20379433 0.80 CCR1 (0.39) CCR1FLT3PDE6DAKT3CDK2
SCHEMBL3150604 0.80 AKT3 (0.40) FLT3PDE6DAKT3CDK2DYRK1A
SCHEMBL23554880 0.80 KDM4E (0.50) HDAC1HDAC8HDAC6CCR1SRC
SCHEMBL12411105 0.79 HRH4 (0.45) HDAC1HDAC8HDAC6CCR1FLT3
SCHEMBL28112390 0.78 PDE6D (0.39) FLT3PDE6DAKT3SYKDYRK1A
SCHEMBL1787725 0.78 KDM4E (0.43) HDAC1HDAC8HDAC6CDK2MAPK14
SCHEMBL12499912 0.77 RXRA (0.35) FLT3PDE6DAKT3SYKDYRK1A
SCHEMBL15360316 0.77 CYP1A2 (0.41) FLT3PDE6DAKT3SYKDYRK1A
SCHEMBL15360315 0.77 NOS3 (0.42) FLT3PDE6DAKT3CDK2DYRK1A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913710-B2 Benzene disulfonamide for the treatment of cancer MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V (DE) 2021-02-09 US disclosed
EP-3568391-B1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER MAX PLANCK GESELLSCHAFT (DE) 2020-11-11 EP disclosed
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
EP-3351544-A1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-07-25 EP disclosed
WO-2018130625-A1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-07-19 WO disclosed
CN-104725397-B Thienopyrimidine derivative, its preparation method and the Pharmaceutical composition containing them 法国施维雅药厂 2017-11-28 CN disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 US disclosed
US-9670227-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-06-06 US disclosed
EP-2886545-B1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2016-06-29 EP disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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 (6 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 HDAC1 3293/4885HDAC8 3795/4885HDAC6 3743/4885
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 HDAC1 924/4885HDAC8 2598/4885HDAC6 626/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 HDAC1 3293/4885HDAC8 3795/4885HDAC6 3743/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 HDAC1 3293/4885HDAC8 3795/4885HDAC6 3743/4885
US-10913710-B2 Benzene disulfonamide for the treatment of cancer DUSP6, DUSP26, RASSF2 HDAC1 1293/4885HDAC8 2558/4885HDAC6 886/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 HDAC1 213/4885HDAC8 1653/4885HDAC6 360/4885

“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.