SCHEMBL7829346

SCHEMBL7829346

Cc1nn[nH]c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.44
CHEK1 O14757 1/20 0.44
KDM4E B2RXH2 6/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 1/20 0.40
AKT1 P31749 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MDM2 Q00987 1/20 0.38
KMT2A Q03164 3/20 0.37
BRD4 O60885 1/20 0.37
TDO2 P48775 1/20 0.37
PLA2G10 O15496 1/20 0.37

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
SCHEMBL16473172 0.83 LMNA (0.38) HPGDSMN1; SMN2POLBHSD17B10NPC1
SCHEMBL26842914 0.79 SMN1; SMN2 (0.43) KDM4EHPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14307558 0.79 MAPK14 (0.40) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL16478914 0.79 ALDH1A1 (0.39) KDM4EHPGDSMN1; SMN2L3MBTL1POLB
SCHEMBL13102550 0.79 CYP11B1 (0.49) CHEK1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL23329192 0.76 NISCH (0.39) KDM4EALDH1A1NPC1RAB9AMAPK1
SCHEMBL23328982 0.76 RAB9A (0.47) KDM4EHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL453506 0.76 KDM4E (0.48) KDM4EHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17424258 0.75 LTA4H (0.42) CHEK1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL28116018 0.75 TDP1 (0.50) KDM4EHPGDSMN1; SMN2L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP claimed
US-4115288-A Lubricants containing substituted triazoles as antiwear agents MOBIL OIL CORPORATION (US) 1978-09-19 US claimed
EP-3373920-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS Sanna, Pietro Paolo (US) 2018-09-19 EP disclosed
US-10039772-B2 Methods and compositions for treating alcohol use disorders SANNA PIETRO PAOLO (US) 2018-08-07 US disclosed
CN-107417634-A A kind of method that two alkane of selectivity synthesis nitrogen are acylated 1,2,3 triazole compounds 武汉工程大学 2017-12-01 CN disclosed
CN-107286106-A A kind of two alkane of selectivity synthesis nitrogen are acylated the new method of 1,2,3 triazole compounds 武汉工程大学 2017-10-24 CN disclosed
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 US disclosed
WO-2017083795-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-05-18 WO disclosed
CN-106146418-A A kind of synthetic method of NH-1,2,3-triazole compounds 海南师范大学 2016-11-23 CN disclosed
US-7709655-B2 Clickphosphines for transition metal-catalyzed reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-04 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed
WO-1998018791-A1 HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1998-05-07 WO disclosed
US-4115288-A Lubricants containing substituted triazoles as antiwear agents MOBIL OIL CORPORATION (US) 1978-09-19 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-10039772-B2 Methods and compositions for treating alcohol use disorders HSD3B1, HSD11B1, HSD3B2 AKT2 738/4885CHEK1 4771/4885KDM4E 3167/4885
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound CYP2A6, CYP2B6, XPO6 AKT2 4336/4885CHEK1 1804/4885KDM4E 2273/4885
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS HSD3B1, HSD11B1, HSD3B2 AKT2 738/4885CHEK1 4771/4885KDM4E 3167/4885
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK AKT2 753/4885CHEK1 102/4885KDM4E 1779/4885

“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.