SCHEMBL10275571

SCHEMBL10275571

CN(c1ccc(C#N)cc1)c1ccc2c(=O)n3nc(-c4ccc(F)cc4F)nc3[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.35
KDM4C Q9H3R0 2/20 0.33
MIF P14174 1/20 0.33
KCNH2 Q12809 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
AR P10275 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
FEN1 P39748 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL10275650 0.86 FLT3 (0.38) MAPK14MIFARPARP1PARP2
SCHEMBL10276540 0.83 MAPK14 (0.33) MAPK14KDM4CMIFKCNH2FNTA
SCHEMBL10275574 0.80 BRD4 (0.39) KCNH2
SCHEMBL10275495 0.74 TNKS2 (0.36) MAPK14KCNH2FEN1PDE3BPDE3A
SCHEMBL10276020 0.73 ALDH1A1 (0.44) MIFADORA1AR
SCHEMBL10276351 0.72 TRPV1 (0.37) PARP1FEN1
SCHEMBL10313547 0.72 DHODH (0.42) KDM4CADORA1ARPDE3BPDE3A
SCHEMBL10275828 0.70 KMT2A (0.42)
SCHEMBL10275539 0.70 FLT3 (0.39) MIFARPARP1PARP2PDE3B
SCHEMBL10313505 0.70 KDM4C (0.43) KDM4CADORA1

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 2663/4885KDM4C 1792/4885MIF 4872/4885

“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.