SCHEMBL10276032

SCHEMBL10276032

O=c1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2[nH]c2nc(-c3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
TDP2 O95551 1/20 0.42
SLC6A2 P23975 1/20 0.40
P2RY14 Q15391 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
MCHR1 Q99705 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AHR P35869 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FEN1 P39748 1/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL10313519 0.96 TNKS2 (0.41) CA12CA9TDP2SLC6A2P2RY14
SCHEMBL10276074 0.92 DGAT1 (0.44) CA12CA9TDP2SLC6A2P2RY14
SCHEMBL10275549 0.90 METAP2 (0.40) CA12CA9TDP2ADORA3ADORA2A
SCHEMBL10276351 0.86 TRPV1 (0.37) CA12CA9TDP2SLC6A2P2RY14
SCHEMBL10313532 0.80 METAP2 (0.39) MCHR1NPSR1
SCHEMBL10313505 0.77 KDM4C (0.43) ADORA3NPSR1
SCHEMBL10275606 0.74 CA12 (0.43) CA12CA9TRPV1MCHR1FEN1
SCHEMBL20076169 0.73 KDM5B (0.47) TDP2ADORA3ADORA2A
SCHEMBL10313547 0.73 DHODH (0.42) ADORA3NPSR1
SCHEMBL10275495 0.73 TNKS2 (0.36) FEN1

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 CA12 2244/4885CA9 3847/4885TDP2 1492/4885

“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.