SCHEMBL15718166

SCHEMBL15718166

NC(=O)C(c1ccccn1)c1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 2/20 0.49
KDM4E B2RXH2 3/20 0.45
CYP3A4 P08684 3/20 0.42
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
STAT6 P42226 1/20 0.40
HIF1A Q16665 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL30473858 1.00 ALDH1A1 (0.49) ALDH1A1CYP1A2KDM4ECYP3A4SLC6A3
SCHEMBL7759530 0.84 ALDH1A1 (0.64) ALDH1A1CYP1A2KDM4ECYP3A4SLC6A3
SCHEMBL639563 0.84 ALDH1A1 (0.64) ALDH1A1CYP1A2KDM4ECYP3A4SLC6A3
SCHEMBL30473857 0.83 ALDH1A1 (0.54) ALDH1A1CYP1A2KDM4ECYP3A4SLC6A3
Hydrochloric Acid SCHEMBL27529639 0.82 ALDH1A1 (0.62) ALDH1A1CYP1A2KDM4ECYP3A4SLC6A3
Hydrochloric Acid SCHEMBL4200885 0.82 ALDH1A1 (0.62) ALDH1A1CYP1A2KDM4ECYP3A4SLC6A3
SCHEMBL438354 0.80 CYP1A2 (0.47) ALDH1A1CYP1A2KDM4ECYP3A4SLC6A3
SCHEMBL29942045 0.78 HDAC4 (0.46) ALDH1A1CYP1A2CYP3A4NPSR1CES2
SCHEMBL2815738 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4SLC6A3SLC6A2
SCHEMBL20993622 0.77 CYP1A2 (0.45) ALDH1A1CYP1A2KDM4ECYP3A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251674-A2 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BioCryst Pharmaceuticals, Inc. (US) 2017-12-06 EP disclosed
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES MIDCAP FINANCIAL TRUST, AS AGENT 2017-09-21 US disclosed
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BIOCRYST PHARMACEUTICALS, INC. 2015-10-15 US disclosed
EP-2919785-A2 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES Biocryst Pharmaceuticals, Inc. (US) 2015-09-23 EP disclosed
WO-2014078778-A2 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BIOCRYST PHARMACEUTICALS, INC. (US) 2014-05-22 WO disclosed
US-20110195066-A1 QUINOLINE INHIBITORS OF TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2011-08-11 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-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT ALDH1A1 2817/4885CYP1A2 3288/4885KDM4E 1365/4885
US-20110195066-A1 QUINOLINE INHIBITORS OF TYROSINE KINASE ABL1, FLT3, BTK ALDH1A1 3045/4885CYP1A2 1892/4885KDM4E 1010/4885
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT ALDH1A1 2817/4885CYP1A2 3288/4885KDM4E 1365/4885

“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.