SCHEMBL1191697

SCHEMBL1191697

c1ccc2c3c(cnc2c1)NCCO3

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
GPR3 P46089 1/20 0.38
EGFR P00533 3/20 0.37
NCF1 P14598 2/20 0.36
ADRB2 P07550 1/20 0.36
SSTR4 P31391 3/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
GRM5 P41594 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL17579011 0.79 EGFR (0.46) EGFRNCF1ALDH1A1GAAHSD17B10
SCHEMBL22744295 0.76 SSTR4 (0.47) KDM4EGPR3SSTR4SSTR1SSTR2
SCHEMBL9588205 0.74 GRM5 (0.40) KDM4EGPR3NCF1ADRB2GRM5
SCHEMBL25666734 0.73 KDM4E (0.42) KDM4EGPR3NCF1ADRB2ALDH1A1
SCHEMBL1191742 0.72 MET (0.42) KDM4EGPR3ALDH1A1GAABRD4
SCHEMBL29910261 0.71 GRM5 (0.40) EGFRGRM5ALDH1A1GAAHSD17B10
SCHEMBL6153900 0.71 GRM5 (0.40) EGFRGRM5ALDH1A1GAAHSD17B10
SCHEMBL29977360 0.66 KDM4E (0.42) KDM4EGPR3NCF1ADRB2
SCHEMBL15064194 0.66 KDM4E (0.42) KDM4EGPR3NCF1ADRB2
SCHEMBL23405733 0.66 KDM4E (0.36) KDM4EGPR3NCF1ADRB2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266989-B1 HETEROCYCLIC DERIVATIVES C & C RES LAB (KR) 2015-09-02 EP disclosed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP 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 (1 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-20110028467-A1 HETEROCYCLIC DERIVATIVES XDH, NUDT1, UGDH KDM4E 3949/4885GPR3 2089/4885EGFR 4567/4885

“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.