SCHEMBL16987349

SCHEMBL16987349

N#Cc1ncc(-c2cc(OCc3ncc(F)cc3F)nc3c2CCC3)cn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ADORA2A P29274 1/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 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
SCHEMBL16987394 0.87 KDM4E (0.34) KDM4EADORA2ADRD2HTR2A
SCHEMBL16872161 0.87 DRD2 (0.34) DRD2HTR2A
SCHEMBL16872025 0.86 GPR84 (0.38) KDM4EADORA2A
SCHEMBL16872134 0.85 DRD2 (0.32) DRD2HTR2A
SCHEMBL16872219 0.85 DRD2 (0.35) KDM4EADORA2ADRD2HTR2A
SCHEMBL16872316 0.85 DRD2 (0.36) DRD2HTR2A
SCHEMBL16871984 0.84 GRM5 (0.38) KDM4EADORA2ADRD2HTR2A
SCHEMBL16872007 0.83 DRD2 (0.34) DRD2HTR2A
SCHEMBL16872074 0.79 GRM5 (0.33) KDM4EADORA2ADRD2HTR2A
SCHEMBL16872272 0.77 MCHR1 (0.35)

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