SCHEMBL10313485

SCHEMBL10313485

[C-]#[N+]c1ccc(-c2c(CC)nn3c(=O)c(C)c(-c4ccc(C(F)(F)F)cc4)[nH]c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
ARF6 P62330 1/20 0.35
PDE2A O00408 7/20 0.34
PDE5A O76074 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLAT P00750 1/20 0.31
RAB9A P51151 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 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
SCHEMBL10275302 0.85 KIF11 (0.40) SLC11A2HEXAHEXBARF6PDE2A
SCHEMBL10275393 0.80 ARF6 (0.35) ARF6PDE2APDE5APLAT
SCHEMBL10275704 0.80 PDE2A (0.43) SLC11A2PDE2APDE5APLATRAB9A
SCHEMBL10275550 0.79 ARF6 (0.41) ARF6
SCHEMBL10313459 0.77 PDE2A (0.41) SLC11A2PDE2APDE5APLATTNKS
SCHEMBL27943291 0.76 PLAT (0.43) SLC11A2PDE2AKDM4EPLATTNKS
SCHEMBL10275224 0.75 ARF6 (0.41) SLC11A2HEXAHEXBARF6PDE2A
SCHEMBL10275766 0.74 MAPT (0.43) ARF6KDM4EALDH1A1PLAT
SCHEMBL10275278 0.73 KIF11 (0.43) SLC11A2ARF6PDE2APDE5APLAT
SCHEMBL10275770 0.71 CNR1 (0.41) SLC11A2PDE2APDE5APLAT

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 SLC11A2 4127/4885HEXA 255/4885HEXB 262/4885

“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.