SCHEMBL10276431

SCHEMBL10276431

N#Cc1ccc(-c2cc(=O)n3nc(-c4ccc(C(F)(F)F)cc4)c(-c4ccc(Cl)cc4Cl)c3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 7/20 0.45
PSD A5PKW4 1/20 0.39
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
BIRC5 O15392 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL10276410 0.89 ARF6 (0.42) ARF6PSDCNR1ALDH1A1MAPT
SCHEMBL10275459 0.89 ARF6 (0.43) ARF6CNR1ALDH1A1HPGDBIRC5
SCHEMBL10313835 0.87 ARF6 (0.56) ARF6PSDALDH1A1KDM4EMEN1
SCHEMBL10276429 0.87 ARF6 (0.43) ARF6PSDCNR1ALDH1A1KDM4E
SCHEMBL10275442 0.82 ARF6 (0.41) ARF6PSDCNR1KDM4EHTT
SCHEMBL10275893 0.82 CYP3A4 (0.41) ARF6PSDALDH1A1KDM4EMEN1
SCHEMBL10275395 0.80 ARF6 (0.43) ARF6PSDCNR1ALDH1A1KDM4E
SCHEMBL10275250 0.80 ARF6 (0.42) ARF6CNR1TNKSMARS1DPP4
SCHEMBL10275640 0.79 ARF6 (0.53) ARF6PSDKITDPP4
SCHEMBL10275316 0.78 KIF11 (0.43) ARF6PSDALDH1A1GLAGAA

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 3355/4885PSD 591/4885CNR1 877/4885

“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.