SCHEMBL10276409

SCHEMBL10276409

C/C1=C/C=C(/c2ccc(F)cc2F)CC2NC(NCc3ccc(C#N)cc3)=CC(=O)N2N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
MAPK14 Q16539 1/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HTR7 P34969 2/20 0.32
HTR6 P50406 2/20 0.32
KCNH2 Q12809 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
PDPK1 O15530 1/20 0.31
CCNT1 O60563 2/20 0.30
CDK9 P50750 2/20 0.30
VNN1 O95497 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
SCHEMBL10275256 0.86 BRD4 (0.39) BRD4MAPK14HTR1ADRD2HTR7
SCHEMBL10275528 0.73 PDE3B (0.33) KCNH2
SCHEMBL10276267 0.72 KDM1A (0.34)
SCHEMBL10275678 0.71 BRD4 (0.39) BRD4MAPK14KCNH2KDM4EALDH1A1
SCHEMBL10275681 0.67 BRD4 (0.38) BRD4MAPK14HTR1ADRD2HTR7
SCHEMBL10276232 0.67 LMNA (0.33) ALDH1A1
SCHEMBL10276404 0.67 KDM1A (0.35) KCNH2
SCHEMBL10275673 0.64 KDM1A (0.35) KCNH2
SCHEMBL10275903 0.63 NR3C2 (0.40) ALDH1A1
SCHEMBL10275863 0.63 PDE3B (0.34)

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 BRD4 3228/4885MAPK14 2663/4885HTR1A 1161/4885

“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.