SCHEMBL16987394

SCHEMBL16987394

N#Cc1ccc(-c2cc(OCc3ncc(F)cc3F)nc3c2CCC3)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ADORA2A P29274 1/20 0.34
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
EED O75530 2/20 0.32
SUZ12 Q15022 2/20 0.32
EZH2 Q15910 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
TNF P01375 1/20 0.32
GRM2 Q14416 2/20 0.31
CNR1 P21554 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL16872219 0.98 DRD2 (0.35) KDM4EADORA2ADRD2HTR2AEED
SCHEMBL16987349 0.87 KDM4E (0.32) KDM4EADORA2ADRD2HTR2A
SCHEMBL16871987 0.86 GPR84 (0.38) KDM4EDRD2HTR2AEEDSUZ12
SCHEMBL16872113 0.86 KDM4E (0.37) KDM4EADORA2ADRD2HTR2AGRM2
SCHEMBL16872161 0.82 DRD2 (0.34) DRD2HTR2AMCHR1
SCHEMBL16872134 0.81 DRD2 (0.32) DRD2HTR2AMCHR1
SCHEMBL16872316 0.80 DRD2 (0.36) DRD2HTR2AMCHR1
SCHEMBL16872000 0.79 ALOX5AP (0.35) KDM4EDRD2HTR2AGPR84TNF
SCHEMBL16872007 0.79 DRD2 (0.34) DRD2HTR2AMCHR1
SCHEMBL16872375 0.79 CHEK1 (0.46) KDM4EGPR84ALDH1A1PDE10ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2015-08-13 US claimed

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-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE TRPV1, TRPV5, TRPM5 KDM4E 1569/4885ADORA2A 953/4885DRD2 1999/4885

“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.