SCHEMBL215756

SCHEMBL215756

Nc1nc2c(Cl)cccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.70
PSMB8 P28062 1/20 0.56
MASP2 O00187 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
AOC3 Q16853 1/20 0.48
ADORA1 P30542 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
MMP12 P39900 1/20 0.46
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
CDK5 Q00535 4/20 0.45
CDK5R1 Q15078 4/20 0.45
PTPN11 Q06124 1/20 0.44
GAA P10253 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43

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
SCHEMBL1170768 0.79 ADORA1 (0.61) NUDT1PSMB8MEN1ALDH1A1KMT2A
SCHEMBL66295 0.79 PSMB8 (0.59) NUDT1PSMB8ALDH1A1ADORA1ADORA3
SCHEMBL3287778 0.79 MEN1 (0.58) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL30291834 0.79 MEN1 (0.58) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL14222708 0.76 NUDT1 (0.51) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL979914 0.76 NUDT1 (0.51) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL17276083 0.76 NUDT1 (0.51) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL727228 0.76 MGAM (0.53) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL11739880 0.76 PSMB8 (0.56) NUDT1PSMB8ALDH1A1ADORA1ADORA3
SCHEMBL17276019 0.76 NUDT1 (0.51) NUDT1MASP2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
CN-106414448-A Novel compounds useful as s100-inhibitors 活跃生物技术有限公司 2017-02-15 CN disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP disclosed
EP-2991990-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2016-03-09 EP disclosed
WO-2015177367-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2015-11-26 WO disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20030100592-A1 Compounds and methods for use thereof in the treatment of viral infections UNIVERSITY OF ARIZONA FOUNDATION (US) 2003-05-29 US disclosed
US-20020193609-A1 Compounds and methods for use thereof in the treatment of cancer or viral infections THE PROCTER & GAMBLE COMPANY 2002-12-19 US disclosed
US-6462062-B1 N-ESTER OR AMIDE SUBSTITUTED 2-AMINO-BENZIMIDAZOLES THE PROCTER & GAMBLE COMPANY 2002-10-08 US disclosed
US-6407105-B1 2-AMINO-1-CARBOXYBENZIMIDAZOLE DERIVATIVES; VIRICIDES, ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS THE PROCTER & GAMBLE COMPANY 2002-06-18 US disclosed
US-6380232-B1 FOR THERAPY OF CANCER OR A VIRAL INFECTION IN WARM BLOODED ANIMALS, MAY BE USED IN COMBINATION WITH POTENTIATOR OR OTHER DRUG THE PROCTER & GAMBLE COMPANY 2002-04-30 US disclosed
WO-2002026716-A2 BENZIMIDAZOLES AND METHODS FOR USE THEREOF IN THE TREATMENT OF CANCER OR VIRAL INFECTIONS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed
US-5326779-A Method of inhibiting the advanced glycosylation of proteins using 1,2-disubstituted-benzimidazoles THE ROCKEFELLER UNIVERSITY (US) 1994-07-05 US disclosed
US-4065462-A ORGANIC PIGMENTS CIBA-GEIGY CORPORATION (US) 1977-12-27 US disclosed
US-4004016-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1977-01-18 US disclosed
US-3981886-A Amino-benzimidazole derivatives E. R. SQUIBB & SONS, INC. (US) 1976-09-21 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 NUDT1 3082/4885PSMB8 2621/4885MASP2 1959/4885
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B NUDT1 2826/4885PSMB8 4113/4885MASP2 589/4885
US-20030100592-A1 Compounds and methods for use thereof in the treatment of viral infections PAICS, PIGO, BAD NUDT1 26/4885PSMB8 3359/4885MASP2 895/4885
US-20020193609-A1 Compounds and methods for use thereof in the treatment of cancer or viral infections PAICS, MCL1, BAD NUDT1 18/4885PSMB8 3852/4885MASP2 968/4885

“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.