SCHEMBL10276410

SCHEMBL10276410

O=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]c2c(-c3ccc(Cl)cc3Cl)c(-c3ccccc3)nn12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 8/20 0.42
TNKS O95271 1/20 0.39
MARS1 P56192 2/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DPP4 P27487 1/20 0.37
SCN2A Q99250 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PSD A5PKW4 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
SCHEMBL10276431 0.89 ARF6 (0.45) ARF6TNKSMARS1ALDH1A1MAPT
SCHEMBL10275442 0.85 ARF6 (0.41) ARF6TNKSMARS1MAPTSMN1; SMN2
SCHEMBL10275459 0.85 ARF6 (0.43) ARF6MARS1ALDH1A1SMN1; SMN2DPP4
SCHEMBL10275925 0.84 PLAT (0.40) ARF6ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL10275250 0.83 ARF6 (0.42) ARF6TNKSMARS1DPP4CNR1
SCHEMBL10275490 0.83 ARF6 (0.41) ARF6MARS1DPP4CNR1CNR2
SCHEMBL10276429 0.80 ARF6 (0.43) ARF6ALDH1A1DPP4CNR1CNR2
SCHEMBL1278782 0.77 ARF6 (0.58) ARF6PSD
SCHEMBL27949830 0.77 ARF6 (0.48) ARF6MARS1ALDH1A1SMN1; SMN2
SCHEMBL10313835 0.76 ARF6 (0.56) ARF6ALDH1A1DPP4PSD

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 4 patents. 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
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 WO 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 3355/4885TNKS 2005/4885MARS1 2862/4885

“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.