SCHEMBL1759899

SCHEMBL1759899

O=C(O)c1ccnc(-c2ccncc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.61
KDM4C Q9H3R0 8/20 0.59
KDM5C P41229 7/20 0.59
KDM4A O75164 6/20 0.59
KDM2A Q9Y2K7 5/20 0.59
KDM3A Q9Y4C1 5/20 0.59
KDM4E B2RXH2 5/20 0.59
KDM6B O15054 4/20 0.59
KDM5B Q9UGL1 4/20 0.58
KDM4B O94953 3/20 0.58
TET3 O43151 1/20 0.58
BBOX1 O75936 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
KDM5A P29375 1/20 0.58
ASPH Q12797 1/20 0.58
KDM4D Q6B0I6 1/20 0.58
TET2 Q6N021 1/20 0.58
ALKBH5 Q6P6C2 1/20 0.58
KDM7A Q6ZMT4 1/20 0.58

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
SCHEMBL648273 0.87 KDM4C (0.71) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL29541336 0.87 KDM4C (0.71) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL30318846 0.86 KMO (0.67) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL23303939 0.86 KMO (0.67) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL3737328 0.85 KDM4C (0.69) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL70700 0.84 KDM4C (0.78) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL29407015 0.84 KDM4C (0.78) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL1592852 0.84 KDM4B (0.58) KMOKDM5CKDM4AKDM2AKDM3A
SCHEMBL28270191 0.83 KMO (0.68) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL31301524 0.82 KMO (0.71) KMOKDM4CKDM5CKDM4AKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 US disclosed
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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 (3 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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 KMO 4397/4885KDM4C 3076/4885KDM5C 2363/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 KMO 4157/4885KDM4C 2733/4885KDM5C 1735/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R KMO 563/4885KDM4C 3166/4885KDM5C 3323/4885

“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.