SCHEMBL5318677

SCHEMBL5318677

Brc1ccnn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
PAX8 Q06710 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP2C9 P11712 6/20 0.43
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 3/20 0.38
CYP2C18 P33260 3/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL25417972 0.79 CYP2A6 (0.46) POLBALDH1A1HTTCYP3A4
SCHEMBL27658183 0.78 ALDH1A1 (0.41) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10941265 0.75 RAB9A (0.61) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6057416 0.74 POLB (0.53) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24214812 0.74 HIF1A (0.41) RAB9ASMN1; SMN2NPSR1MAPTCYP2C9
SCHEMBL7082394 0.73 POLB (0.57) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL255499 0.73 POLB (0.57) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5579308 0.73 POLB (0.57) POLBNPC1RAB9ALMNANPSR1
SCHEMBL411379 0.73 POLB (0.57) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17227421 0.73 POLB (0.57) POLBNPC1RAB9ASMN1; SMN2LMNA

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
CN-109662961-A For improving the method and composition of cognitive function 约翰斯霍普金斯大学 2019-04-23 CN disclosed
CN-109662964-A For improving the method and composition of cognitive function 约翰斯.霍普金斯大学 2019-04-23 CN disclosed
CN-107567452-A Imidazopyrazine and pyrazolopyrimidine and their purposes as ampa receptor conditioning agent 詹森药业有限公司 2018-01-09 CN disclosed
CN-105899509-B Isopropyl triazolopyridine compounds 伊莱利利公司 2018-01-02 CN disclosed
CN-102947303-B Bicyclo-pyridyl pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-12-14 CN disclosed
CN-105142623-A Methods and compositions for improving cognitive function AGENEBIO INC 2015-12-09 CN disclosed
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 US disclosed
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 US disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 US disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 US disclosed
CN-104039785-A Heterocyclylpyrazoles as fungicides BAYER IP GMBH 2014-09-10 CN disclosed
CN-103476255-A Methods and compositions for improving cognitive function UNIV JOHNS HOPKINS 2013-12-25 CN disclosed
CN-103360364-A Synthetic method of aromatic cyclo-ethanol QIU YIBIN 2013-10-23 CN disclosed
CN-102905532-A Methods and compositions for improving cognitive function UNIV JOHNS HOPKINS 2013-01-30 CN disclosed
CN-101365700-A Azaindazoles useful as inhibitors of kinases VERTEX PHARMA (US) 2009-02-11 CN disclosed
EP-1812450-A2 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2007-08-01 EP disclosed
WO-2006052568-A2 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-18 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 (1 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-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF MAP3K1, MAP3K6, MAP3K9 POLB 1741/4885NPC1 3118/4885RAB9A 1302/4885

“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.