SCHEMBL3368776

SCHEMBL3368776

N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 1.00
ADORA2A P29274 9/20 1.00
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
PIM1 P11309 2/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
SQOR Q9Y6N5 1/20 0.67
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 4/20 0.66
HPGD P15428 4/20 0.66
PPARG P37231 1/20 0.66
STAT3 P40763 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
NR2E3 Q9Y5X4 1/20 0.66
NCOR2 Q9Y618 1/20 0.66
GLA P06280 3/20 0.65
GAA P10253 3/20 0.65
MAPT P10636 2/20 0.65
PKM P14618 2/20 0.65

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
SCHEMBL31120396 1.00 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120337 1.00 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120418 0.94 ADORA1 (0.89) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120336 0.91 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL4911494 0.91 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120343 0.87 ADORA1 (0.78) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31139633 0.87 ADORA1 (0.78) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120440 0.87 ADORA1 (0.78) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120344 0.87 ADORA1 (0.85) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL22208383 0.86 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736881-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2020-08-11 US disclosed
US-20190282547-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2019-09-19 US disclosed
US-10201527-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2019-02-12 US disclosed
US-20170360757-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2017-12-21 US disclosed
US-9717713-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2017-08-01 US disclosed
US-20160279102-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2016-09-29 US disclosed
US-9402829-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2016-08-02 US disclosed
US-20150157608-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2015-06-11 US disclosed
US-9024029-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2015-05-05 US disclosed
US-20140005194-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS MEI PHARMA, INC. (US) 2014-01-02 US disclosed
EP-1476435-B1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1673349-B1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2010-06-30 EP disclosed
US-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications S*BIO PTE LTD. (SG) 2007-02-22 US disclosed
US-7022718-B2 Pyridine and pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20050143405-A1 Pyridine and pyrimidine derivatives BOEHRINGER MARKUS (CH) 2005-06-30 US disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 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 (10 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-10201527-B2 Benzimidazole derivatives: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC8 ADORA1 4080/4885ADORA2A 4197/4885MEN1 3392/4885
US-20190282547-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 ADORA1 4080/4885ADORA2A 4197/4885MEN1 3392/4885
US-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 ADORA1 134/4885ADORA2A 794/4885MEN1 3734/4885
US-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC4 ADORA1 4161/4885ADORA2A 4354/4885MEN1 3144/4885
US-10736881-B2 Benzimidazole derivatives: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC8 ADORA1 4080/4885ADORA2A 4197/4885MEN1 3392/4885
US-20140005194-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 ADORA1 4080/4885ADORA2A 4197/4885MEN1 3392/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK ADORA1 207/4885ADORA2A 547/4885MEN1 3821/4885
US-20160279102-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 ADORA1 4080/4885ADORA2A 4197/4885MEN1 3392/4885
US-20170360757-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 ADORA1 4080/4885ADORA2A 4197/4885MEN1 3392/4885
US-20150157608-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 ADORA1 4080/4885ADORA2A 4197/4885MEN1 3392/4885

“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.