SCHEMBL975608

SCHEMBL975608

Cc1nc2ccc(Br)cn2c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
TSHR P16473 1/20 0.46
MAPK10 P53779 1/20 0.46
EPHB3 P54753 1/20 0.45
PIK3CG P48736 1/20 0.44
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
AHR P35869 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PARP1 P09874 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL769914 0.81 GAA (0.55) GAATSHRMAPK10EPHB3PIK3CG
SCHEMBL22519218 0.81 GAA (0.47) GAATSHRMAPK10EPHB3PIK3CG
SCHEMBL12832005 0.79 COMT (0.51) GAATSHRKDM4ENPC1RAB9A
SCHEMBL18774145 0.78 GAA (0.53) GAATSHRMAPK10EPHB3RXFP1
SCHEMBL12808393 0.77 GAA (0.51) GAATSHRMAPK10EPHB3RXFP1
SCHEMBL2457745 0.77 GAA (0.51) GAATSHRMAPK10EPHB3RXFP1
SCHEMBL955948 0.77 GAA (0.51) GAATSHRMAPK10EPHB3PIK3CG
SCHEMBL16792721 0.77 GAA (0.51) GAATSHRMAPK10EPHB3RXFP1
SCHEMBL16792504 0.77 GAA (0.51) GAATSHRMAPK10EPHB3KDM4E
SCHEMBL9925348 0.76 CYP11B1 (0.53) GAA

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
CN-109776522-B Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed
EP-3710006-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2020-09-23 EP disclosed
US-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 US disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 US disclosed
EP-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
EP-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 EP disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
EP-2235016-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009112679-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 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 (5 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 GAA 2461/4885TSHR 236/4885MAPK10 2976/4885
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 GAA 2210/4885TSHR 68/4885MAPK10 1717/4885
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB GAA 543/4885TSHR 3958/4885MAPK10 508/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB GAA 543/4885TSHR 3958/4885MAPK10 508/4885
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 GAA 547/4885TSHR 3838/4885MAPK10 2972/4885

“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.