SCHEMBL794716

SCHEMBL794716

[c]1nsc(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
PDPK1 O15530 1/20 0.39
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.34
ALOX5 P09917 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AR P10275 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL345646 0.78 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL794861 0.68 ALDH1A1 (0.43) ALDH1A1POLBNPC1RAB9AKMT2A
SCHEMBL9018567 0.62 ALDH1A1 (0.61) PDPK1ALDH1A1POLBNPC1MAPK1
SCHEMBL2213286 0.60 ALDH1A1 (0.59) PDPK1ALDH1A1POLBNPC1MAPK1
SCHEMBL2909003 0.60 MEN1 (0.52) ADORA2AADORA1ALDH1A1POLBNPC1
Biphenyl SCHEMBL1358618 0.57 ALDH1A1 (1.00) ALDH1A1ALOX5NPC1MAPK1RAB9A
Biphenyl SCHEMBL164 0.57 ALDH1A1 (1.00) ALDH1A1ALOX5NPC1MAPK1RAB9A
SCHEMBL30108088 0.57 ALDH1A1 (1.00) ALDH1A1ALOX5NPC1MAPK1RAB9A
Biphenyl SCHEMBL2548048 0.57 ALDH1A1 (1.00) ALDH1A1ALOX5NPC1MAPK1RAB9A
Biphenyl SCHEMBL29008551 0.57 ALDH1A1 (1.00) ALDH1A1ALOX5NPC1MAPK1RAB9A

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4284787-A Process for the preparation of 1,2,3-triazoles substituted in the 2-position BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US claimed
CN-116406359-A Bicyclo [1.1.1] pentanes for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN disclosed
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II BASF SE (DE) 2019-02-19 US disclosed
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2018-05-03 US disclosed
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP disclosed
WO-2015124606-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-08-27 WO disclosed
US-8765791-B2 Method of treating cancer using a neuropeptide Y 5R (NP Y5R) antagonist UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2013-08-08 US disclosed
EP-2616458-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2013-07-24 EP disclosed
WO-2012034960-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2012-03-22 WO disclosed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US disclosed
EP-1165074-A2 VIRAL TREATMENT THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US disclosed
WO-2000057869-A2 VIRAL TREATMENT THE PROCTER & GAMBLE COMPANY (US) 2000-10-05 WO disclosed
US-4683227-A CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1987-07-28 US disclosed
EP-0211526-A2 Cephalosporins, their preparation and formulations ELI LILLY AND COMPANY (US) 1987-02-25 EP disclosed
US-4284787-A Process for the preparation of 1,2,3-triazoles substituted in the 2-position BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0004897-B1 PROCESS FOR THE PREPARATION OF 1,2,3 TRIAZOLES SUBSTITUTED IN THE 2-POSITION BAYER AG (DE) 1981-03-18 EP disclosed
EP-0004897-A2 Process for the preparation of 1,2,3 triazoles substituted in the 2-position BAYER AG (DE) 1979-10-31 EP 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-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 ADORA3 2109/4885ADORA2A 2230/4885ADORA2B 2136/4885
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II PRXL2A, NR2C2, SHROOM3 ADORA3 134/4885ADORA2A 126/4885ADORA2B 242/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 ADORA3 152/4885ADORA2A 133/4885ADORA2B 256/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 ADORA3 142/4885ADORA2A 85/4885ADORA2B 181/4885

“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.