SCHEMBL7704092

SCHEMBL7704092

O=C(NCCc1ccccc1)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
HIF1A Q16665 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
EPHX2 P34913 1/20 0.64
HTT P42858 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL30131466 1.00 KMT2A (0.69) KMT2AHIF1ASMN1; SMN2EPHX2HTT
SCHEMBL11818472 0.91 HIF1A (0.67) KMT2AHIF1ASMN1; SMN2EPHX2HTT
SCHEMBL11487228 0.90 KMT2A (0.61) KMT2AHIF1ASMN1; SMN2EPHX2HTT
SCHEMBL9341104 0.86 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL31658991 0.86 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL11770320 0.86 HIF1A (0.60) KMT2AHIF1ASMN1; SMN2EPHX2HTT
SCHEMBL8722345 0.84 KMT2A (0.65) KMT2ASMN1; SMN2EPHX2RAB9ANPC1
SCHEMBL6072210 0.84 HIF1A (0.59) HIF1ASMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL3083971 0.83 HTT (0.75) KMT2ASMN1; SMN2EPHX2HTTKDM4E
SCHEMBL29733373 0.83 HTT (0.75) KMT2ASMN1; SMN2EPHX2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 US disclosed
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 US disclosed
EP-3118211-A1 AMIDE COMPOUNDS AND METHODS FOR THE PRODUCTION AND USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2017-01-18 EP disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 US disclosed
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed
US-4659716-A Antihistaminic 8-(halo)-substituted 6,11-dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridines SCHERING CORPORATION (US) 1987-04-21 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 (2 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-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES ACE, ACE2, MCTS1 KMT2A 956/4885HIF1A 567/4885SMN1; SMN2 807/4885
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 KMT2A 3331/4885HIF1A 4300/4885SMN1; SMN2 3550/4885

“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.