SCHEMBL10276429

SCHEMBL10276429

N#Cc1ccc(-c2cc(=O)n3nc(-c4ccccc4C(F)(F)F)c(-c4ccc(Cl)cc4Cl)c3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 9/20 0.43
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GLA P06280 4/20 0.39
GAA P10253 4/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HSD11B1 P28845 1/20 0.39
PSD A5PKW4 2/20 0.37
MET P08581 1/20 0.36
KDR P35968 1/20 0.36
CYP3A4 P08684 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL10276431 0.87 ARF6 (0.45) ARF6KDM4EALDH1A1GLAGAA
SCHEMBL10275459 0.87 ARF6 (0.43) ARF6ALDH1A1HPGDMETKDR
SCHEMBL10313835 0.85 ARF6 (0.56) ARF6KDM4EALDH1A1GLAGAA
SCHEMBL10275893 0.82 CYP3A4 (0.41) ARF6KDM4EALDH1A1GAAHPGD
SCHEMBL10276410 0.80 ARF6 (0.42) ARF6ALDH1A1PSDDPP4CNR1
SCHEMBL10275395 0.78 ARF6 (0.43) ARF6KDM4EALDH1A1GAAHPGD
SCHEMBL10275640 0.77 ARF6 (0.53) ARF6PSDMETKDRCYP3A4
SCHEMBL17298733 0.76 ARF6 (0.63) ARF6KDM4EALDH1A1GLAGAA
SCHEMBL10275442 0.75 ARF6 (0.41) ARF6KDM4EHTTHSD11B1PSD
SCHEMBL10275657 0.74 ARF6 (0.40) ARF6KDM4EPSDMETKDR

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 ARF6 3355/4885KDM4E 3483/4885ALDH1A1 572/4885

“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.