SCHEMBL10276490

SCHEMBL10276490

COc1cccc(-n2cc(C)c(=O)n3nc(C)c(-c4ccc(F)cc4F)c23)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
MIF P14174 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAP4K4 O95819 1/20 0.36
AURKB Q96GD4 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10276107 0.87 MAPT (0.32) MAPTKDM4EALDH1A1
SCHEMBL10276305 0.79 MAPT (0.44) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL10276069 0.76 MAPT (0.49) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL10275900 0.73 PGR (0.38) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL10276622 0.70 HTT (0.40) MAPTLMNAALDH1A1
SCHEMBL10275202 0.70 MAPT (0.39) TP53MAPTNPC1RAB9A
SCHEMBL10276402 0.67 PGR (0.35) MAPTKDM4E
SCHEMBL10276024 0.66 MAPT (0.36) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL10275272 0.65 MEN1 (0.43) MIFMAPTKDM4EALDH1A1HPGD
SCHEMBL10275560 0.65 PDE4A (0.47) MIFLMNAKDM4EHPGDNPC1

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 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 TP53 2161/4885MIF 4872/4885MAPT 750/4885

“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.