SCHEMBL10276041

SCHEMBL10276041

Cc1nn2c(=O)cc(N(C)c3ccc(C#N)cc3)nc2cc1-c1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.35
AR P10275 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
EGLN2 Q96KS0 3/20 0.31
MIF P14174 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
SCN9A Q15858 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIA2 P42262 2/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
BRD1 O95696 1/20 0.30
BRPF1 P55201 1/20 0.30

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
SCHEMBL10275338 0.82 AR (0.43) MAPK14AREGLN2MAPK13MAPK12
SCHEMBL10275309 0.79 FNTA (0.36) MAPK14ARFNTAFNTBPGGT1B
SCHEMBL10275311 0.79 BRD4 (0.42) MAPK14AREGLN2KCNH2ADORA2A
SCHEMBL10276042 0.78 BRD4 (0.40) ARFNTAFNTBPGGT1BGRIN1
SCHEMBL10276143 0.76 MAPK14 (0.33) MAPK14ARFNTAFNTBPGGT1B
SCHEMBL10275238 0.70 AR (0.41) ARFNTAFNTBPGGT1BEGLN2
SCHEMBL10275813 0.70 AR (0.42) ARKCNH2
SCHEMBL10275732 0.69 ALDH1A1 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL10276420 0.69 AR (0.34) MAPK14ARFNTAFNTBPGGT1B
SCHEMBL10275636 0.69 ADORA1 (0.43) ARADORA2AADORA1

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 MAPK14 2663/4885AR 3221/4885FNTA 3998/4885

“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.