SCHEMBL474287

SCHEMBL474287

Nc1nccc(-c2ccc(Br)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.66
PRKACA P17612 3/20 0.66
ADORA2A P29274 2/20 0.66
AURKA O14965 2/20 0.66
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KMO O15229 1/20 0.56
KDM4E B2RXH2 5/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
ADORA1 P30542 1/20 0.55
HSP90AB1 P08238 1/20 0.53
PTK2 Q05397 1/20 0.53
MAP3K14 Q99558 1/20 0.50
CDK5 Q00535 3/20 0.49
CDK5R1 Q15078 3/20 0.49
CCNB2 O95067 2/20 0.49
CDK1 P06493 2/20 0.49

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
SCHEMBL21164006 0.83 HSP90AA1 (0.70) HSP90AA1PRKACAADORA2AAURKARAB9A
SCHEMBL4780028 0.82 PRKACA (0.58) HSP90AA1PRKACAADORA2AAURKARAB9A
SCHEMBL24175048 0.80 TRPV1 (0.53) MEN1KMT2AKDM4EMAPT
SCHEMBL31396418 0.80 TRPV1 (0.53) MEN1KMT2AKDM4EMAPT
SCHEMBL17200126 0.80 HSP90AA1 (0.66) HSP90AA1PRKACAADORA2AAURKARAB9A
SCHEMBL12176972 0.80 HSP90AA1 (0.92) HSP90AA1PRKACAADORA2AAURKARAB9A
SCHEMBL3412705 0.80 KMO (0.66) HSP90AA1PRKACAADORA2AAURKARAB9A
SCHEMBL12821368 0.80 HSP90AA1 (0.66) HSP90AA1PRKACAADORA2AAURKARAB9A
SCHEMBL8313279 0.80 HSP90AA1 (0.66) HSP90AA1PRKACAADORA2AAURKARAB9A
SCHEMBL2994671 0.80 HSP90AA1 (0.66) HSP90AA1PRKACAADORA2AAURKARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9474758-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2016-10-25 US disclosed
CN-103755720-B Thienopyrimidine derovatives as TRPA1 regulator 格兰马克药品股份有限公司 2016-07-06 CN disclosed
US-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-06-04 US disclosed
US-8987278-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-24 US disclosed
CN-102361877-B Thienopyrimidinedione derivatives as trpa1 modulators GLENMARK PHARMACEUTICALS SA 2014-05-07 CN disclosed
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-31 US disclosed
EP-2634191-A1 Process for preparing derivatives of thienopyrimidinedione Glenmark Pharmaceuticals S.A. (CH) 2013-09-04 EP disclosed
US-8507503-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-13 US disclosed
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-22 US disclosed
EP-2480556-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102361877-A Thienopyrimidinedione derivatives as trpa1 modulators GLENMARK PHARMACEUTICALS SA 2012-02-22 CN disclosed
EP-2411396-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2011036128-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110070190-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-03-24 US disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 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-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 HSP90AA1 472/4885PRKACA 1574/4885ADORA2A 44/4885
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 HSP90AA1 472/4885PRKACA 1574/4885ADORA2A 44/4885
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 HSP90AA1 472/4885PRKACA 1574/4885ADORA2A 44/4885
US-20110070190-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, RTF2, HCCS HSP90AA1 1830/4885PRKACA 3118/4885ADORA2A 1914/4885

“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.