SCHEMBL2990211

SCHEMBL2990211

NC(=O)c1nc2ccc(Br)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
DYRK1A Q13627 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PPARA Q07869 2/20 0.52
APP P05067 1/20 0.49
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
CLK1 P49759 1/20 0.43

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
SCHEMBL4137369 0.85 PPARA (0.57) RAB9ANPC1DYRK1ACYP1A2CYP3A4
SCHEMBL13466474 0.85 RAB9A (0.63) RAB9ANPC1DYRK1ACYP1A2CYP3A4
SCHEMBL2479649 0.83 RAB9A (0.54) RAB9ANPC1DYRK1ACYP1A2CYP3A4
SCHEMBL25222888 0.83 RAB9A (0.54) RAB9ANPC1DYRK1ACYP1A2CYP3A4
SCHEMBL30040337 0.83 RAB9A (0.54) RAB9ANPC1DYRK1ACYP1A2CYP3A4
SCHEMBL3080605 0.81 CA1 (0.57) RAB9ANPC1APPMAPTALDH1A1
SCHEMBL31519036 0.81 HSD17B1 (0.63) DYRK1ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30916109 0.81 CA1 (0.57) RAB9ANPC1APPMAPTALDH1A1
SCHEMBL4404844 0.81 HSD17B1 (0.63) DYRK1ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7601373 0.81 RAB9A (0.51) RAB9ANPC1DYRK1ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
EP-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS RAB9A 2884/4885NPC1 2733/4885DYRK1A 4590/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 RAB9A 1982/4885NPC1 4214/4885DYRK1A 1720/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 RAB9A 1982/4885NPC1 4214/4885DYRK1A 1720/4885
US-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB RAB9A 2332/4885NPC1 1077/4885DYRK1A 704/4885

“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.