SCHEMBL10313835

SCHEMBL10313835

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 13/20 0.56
PLAT P00750 1/20 0.42
PSD A5PKW4 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL17298733 0.89 ARF6 (0.63) ARF6PLATPSDKDM4EMEN1
SCHEMBL10276431 0.87 ARF6 (0.45) ARF6PSDKDM4EMEN1ALDH1A1
SCHEMBL10275893 0.85 CYP3A4 (0.41) ARF6PSDKDM4EMEN1ALDH1A1
SCHEMBL10276429 0.85 ARF6 (0.43) ARF6PSDKDM4EMEN1ALDH1A1
SCHEMBL10276268 0.84 ARF6 (0.48) ARF6PLATPSDKDM4EALDH1A1
SCHEMBL10275459 0.83 ARF6 (0.43) ARF6PLATALDH1A1HPGDMET
SCHEMBL10275395 0.83 ARF6 (0.43) ARF6PSDKDM4EMEN1ALDH1A1
SCHEMBL10275640 0.82 ARF6 (0.53) ARF6PLATPSDMETKDR
SCHEMBL19084538 0.80 ARF6 (0.58) ARF6PLATPSDKDM4EMEN1
SCHEMBL10275657 0.79 ARF6 (0.40) ARF6PLATPSDKDM4EMET

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 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 ARF6 3355/4885PLAT 2180/4885PSD 591/4885

“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.