SCHEMBL10276069

SCHEMBL10276069

COc1cccc(-c2cc(=O)n3nc(C)c(-c4ccc(F)cc4F)c3n2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 1/20 0.43
GSK3B P49841 2/20 0.39
PRKCA P17252 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
BRD4 O60885 1/20 0.36
TP53 P04637 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CRHR1 P34998 1/20 0.36
BACE1 P56817 1/20 0.35
DHODH Q02127 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL10275202 0.89 MAPT (0.39) MAPTTDP1NPC1RAB9ATP53
SCHEMBL10275392 0.86 MAPT (0.36) MAPTBRD4BACE1
SCHEMBL10276305 0.84 MAPT (0.44) MAPTTDP1GSK3BPRKCABRD4
SCHEMBL10275521 0.80 AR (0.36) BRD4CRHR1KDM4EALDH1A1
SCHEMBL10275378 0.79 NPC1 (0.38) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10313535 0.77 PGR (0.39) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10276490 0.76 TP53 (0.41) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL10282694 0.75 HSD11B1 (0.45) BRD4AKR1C3AKR1C2
SCHEMBL10275900 0.74 PGR (0.38) MAPTNPC1RAB9ATP53KDM4E
SCHEMBL10276244 0.74 MAPT (0.36) MAPTBRD4TP53ALDH1A1

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 MAPT 750/4885TDP1 787/4885GSK3B 563/4885

“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.