SCHEMBL3193207

SCHEMBL3193207

CN(C)Cc1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.50
MCHR1 Q99705 4/20 0.39
LTA4H P09960 1/20 0.37
GRM2 Q14416 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL16215917 0.82 GBA1 (0.55) GBA1MCHR1GRM2KDM4EALDH1A1
SCHEMBL12089150 0.81 GBA1 (0.44) GBA1MCHR1GRM2MBOAT4KDM4E
SCHEMBL1241260 0.80 TAAR1 (0.52) GBA1MCHR1GRM2TAAR1SLC6A2
SCHEMBL19739531 0.78 ALDH1A1 (0.44) GBA1MCHR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13577890 0.77 CCR1 (0.44) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL684128 0.76
SCHEMBL529043 0.75 LTA4H (0.37) LTA4HKDM4EALDH1A1SLC6A4CHRNB2
SCHEMBL30911483 0.75 LTA4H (0.37) LTA4HALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL11956156 0.75 ESR1 (0.49) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL11955565 0.73 HRH3 (0.47) KDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425478-A1 CYCLOPENTYLPYRAZOLE CDK2 INHIBITORS GENENTECH INC (US) 2024-12-26 US disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2018086589-A1 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES 上海海雁医药科技有限公司 2018-05-17 WO disclosed
EP-2953944-B1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2017-04-26 EP disclosed
US-20170071936-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-9567320-B2 Pyridazinone-amides derivatives MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-20150376167-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2015-12-31 US disclosed
EP-2953944-A1 PYRIDAZINONE-AMIDES DERIVATIVES Merck Patent GmbH (DE) 2015-12-16 EP disclosed
WO-2014121931-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2014-08-14 WO disclosed
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-09-06 US disclosed
CN-101128461-B Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI 2010-12-22 CN disclosed
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed
US-7666879-B2 Imidazo[1,2-A]pyridine compounds as VEGF-R2 inhibitors ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1904494-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
CN-101128461-A Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI (US) 2008-02-20 CN disclosed
WO-2006091671-A1 IMIDAZO (1, 2-A) PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2006-08-31 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-20170071936-A1 PYRIDAZINONE-AMIDES DERIVATIVES CNKSR1, SSB, NQO2 GBA1 1118/4885MCHR1 3366/4885LTA4H 2186/4885
US-20240425478-A1 CYCLOPENTYLPYRAZOLE CDK2 INHIBITORS CDK2, CCNI, CDK20 GBA1 4151/4885MCHR1 4474/4885LTA4H 4238/4885
US-20150376167-A1 PYRIDAZINONE-AMIDES DERIVATIVES CNKSR1, SSB, NQO2 GBA1 1118/4885MCHR1 3366/4885LTA4H 2186/4885
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 GBA1 3563/4885MCHR1 313/4885LTA4H 1892/4885
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS KDR, FLT1, FLT4 GBA1 4653/4885MCHR1 338/4885LTA4H 4089/4885

“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.