SCHEMBL10276074

SCHEMBL10276074

N#Cc1ccc(-c2ccc3c(=O)n4nc(-c5ccc(C(F)(F)F)cc5)nc4[nH]c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
SOAT1 P35610 1/20 0.44
KCNH2 Q12809 1/20 0.44
KIF11 P52732 2/20 0.44
PDPK1 O15530 1/20 0.38
MCHR1 Q99705 1/20 0.37
TDP2 O95551 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
FLT3 P36888 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KIT P10721 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
SLC6A2 P23975 1/20 0.35
P2RY14 Q15391 1/20 0.35
XDH P47989 1/20 0.35
PSD A5PKW4 1/20 0.35
KDM5A P29375 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
SCHEMBL10276032 0.92 CA12 (0.42) MCHR1TDP2CA12CA9ADORA3
SCHEMBL10313519 0.88 TNKS2 (0.41) MCHR1TDP2CA12CA9ADORA3
SCHEMBL10313505 0.87 KDM4C (0.43) KDM4CFLT3ADORA3XDH
SCHEMBL10275549 0.82 METAP2 (0.40) MCHR1TDP2CA12CA9ADORA3
SCHEMBL10275650 0.80 FLT3 (0.38) FLT3
SCHEMBL10276351 0.79 TRPV1 (0.37) MCHR1TDP2CA12CA9TRPV1
SCHEMBL10275828 0.79 KMT2A (0.42) FLT3
SCHEMBL10276171 0.79 TRPV1 (0.39) TDP2CA12CA9ADORA3ADORA2A
SCHEMBL10276015 0.78 DGAT1 (0.43) DGAT1SOAT1KCNH2KIF11MCHR1
SCHEMBL10313532 0.73 METAP2 (0.39) MCHR1XDH

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
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 DGAT1 4032/4885SOAT1 3883/4885KCNH2 1984/4885

“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.