SCHEMBL17080876

SCHEMBL17080876

C1=CNc2ccccc2CN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
PLAU P00749 1/20 0.42
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR5A P47898 3/20 0.37
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL153780 0.79 PLAU (0.43) PARP1PLAUALOX15HSD17B10HTR5A
SCHEMBL29848588 0.71 MAPT (0.38) PLAUALOX15HSD17B10GAANPC1
SCHEMBL1996673 0.71 MAPT (0.38) PLAUALOX15HSD17B10GAANPC1
SCHEMBL29504825 0.70 PLAU (0.43) PLAUALOX15HSD17B10HTR5AGAA
SCHEMBL170456 0.70 PLAU (0.43) PLAUALOX15HSD17B10HTR5AGAA
SCHEMBL8827973 0.68 PLAU (0.42) PLAUALOX15HSD17B10HTR5AGAA
SCHEMBL31312839 0.68 PLAU (0.42) PLAUALOX15HSD17B10HTR5AGAA
Hydrochloric Acid SCHEMBL10824104 0.68 PLAU (0.42) PARP1PLAUALOX15HSD17B10HTR5A
SCHEMBL30668800 0.67
SCHEMBL2041999 0.67

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-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 EP disclosed
EP-3115361-B1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-10-23 EP disclosed
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
EP-3115361-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-11 EP disclosed
WO-2015131856-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2015-09-11 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 (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-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof CYP11B2, CYP11B1, ADCYAP1R1 PARP1 3742/4885PLAU 2712/4885ALOX15 412/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 PARP1 3742/4885PLAU 2712/4885ALOX15 412/4885

“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.