SCHEMBL1797757

SCHEMBL1797757

C=C(N)Cc1ncc2[nH]cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
CDK2 P24941 5/20 0.38
PAK1 Q13153 1/20 0.36
CDK1 P06493 4/20 0.35
CCNB1 P14635 4/20 0.35
CCNT1 O60563 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
POLA1 P09884 1/20 0.34
CCNA2 P20248 3/20 0.32
CCNA1 P78396 3/20 0.32
MGMT P16455 2/20 0.32

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
SCHEMBL31618832 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL11200783 0.78 ALDH1A1 (0.58) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL28126988 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ERXFP1CDK2PAK1
Iodide SCHEMBL28673351 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ERXFP1CDK2PAK1
Water SCHEMBL28488923 0.76 ALDH1A1 (0.56) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL28623710 0.75 ALDH1A1 (0.44) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL27658630 0.75 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL1797752 0.74
SCHEMBL5138814 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL1079075 0.73 ALDH1A1 (0.49) ALDH1A1KDM4ERXFP1CDK2PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214198-A1 Allele-targeted RNA interference UNIVERSITY OF MASSACHUSETTS 2004-10-28 US claimed
WO-2004046324-A2 ALLELE-TARGETED RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-06-03 WO claimed
US-9878050-B2 Delivery of agents using interfering nanoparticles SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-30 US disclosed
US-20170182177-A1 DELIVERY OF AGENTS USING INTERFERING NANOPARTICLES SANFORD-BURNHAM MEDICAL RES INST (US) 2017-06-29 US disclosed
US-9526693-B2 Delivery of agents using interfering nanoparticles Sanford-Burnham Medical Research Inslilute (US) 2016-12-27 US disclosed
US-20110263514-A1 DELIVERY OF AGENTS USING INTERFERING NANOPARTICLES SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-10-27 US disclosed
WO-2011116152-A2 DELIVERY OF AGENTS USING INTERFERING NANOPARTICLES SANFORD -BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 WO disclosed
US-7951784-B2 modified small interfering RNAs (siRNAs) that are stable in vivo and retain the ability to form an A-form helix when in association with a target RNA; gene expression inhibition; for treating amyotrophic lateral sclerosis associated with the activity of a protein specified by a target mRNA UNIVERSITY OF MASSACHUSETTS (US) 2011-05-31 US disclosed
EP-1986699-A2 RNA INTERFERENCE AGENTS FOR THERAPEUTIC USE University of Massachusetts (US) 2008-11-05 EP disclosed
EP-1986609-A2 RNA SILENCING AGENTS FOR USE IN THERAPY AND NANOTRANSPORTERS FOR EFFICIENT DELIVERY OF SAME University of Massachusetts (US) 2008-11-05 EP disclosed
US-20080125386-A1 RNA interference agents for therapeutic use UNIVERSTIY OF MASSACHUSETTS (US) 2008-05-29 US disclosed
WO-2007092182-A2 RNA INTERFERENCE AGENTS FOR THERAPEUTIC USE UNIVERSITY OF MASSACHUSETTS (US) 2007-08-16 WO disclosed
WO-2007089607-A2 RNA SILENCING AGENTS FOR USE IN THERAPY AND NANOTRANSPORTERS FOR EFFICIENT DELIVERY OF SAME UNIVERSITY OF MASSACHUSETTS (US) 2007-08-09 WO disclosed
US-20040214198-A1 Allele-targeted RNA interference UNIVERSITY OF MASSACHUSETTS 2004-10-28 US disclosed
WO-2004046324-A2 ALLELE-TARGETED RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-06-03 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 (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-20080125386-A1 RNA interference agents for therapeutic use HNRNPH1, SNRPE, RNASEH1 ALDH1A1 478/4885KDM4E 3231/4885RXFP1 4060/4885
US-20170182177-A1 DELIVERY OF AGENTS USING INTERFERING NANOPARTICLES SNRPE, SNRPF, SNRPA ALDH1A1 3373/4885KDM4E 4086/4885RXFP1 1707/4885
US-20110263514-A1 DELIVERY OF AGENTS USING INTERFERING NANOPARTICLES SNRPE, SNRPF, SNRPA ALDH1A1 3373/4885KDM4E 4086/4885RXFP1 1707/4885

“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.