SCHEMBL10276570

SCHEMBL10276570

CCCN(CCC)S(=O)(=O)C(=O)c1ccc(-c2cc(=O)n3nc(C)c(-c4ccc(Cl)cc4Cl)c3[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.41
MARS1 P56192 1/20 0.34

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
SCHEMBL10313476 0.79 CRHR1 (0.39) CRHR1MARS1
SCHEMBL10275442 0.76 ARF6 (0.41) CRHR1MARS1
SCHEMBL10275893 0.76 CYP3A4 (0.41) CRHR1
SCHEMBL10276296 0.75 PSD (0.52) CRHR1
SCHEMBL10275643 0.73 CRHR1 (0.42) CRHR1
SCHEMBL10275579 0.72 MEN1 (0.37)
SCHEMBL12826181 0.72 CRHR1 (0.44) CRHR1
SCHEMBL13515966 0.72 MAPT (0.46) CRHR1
SCHEMBL10275312 0.71 CNR1 (0.41) CRHR1
SCHEMBL10275805 0.70 MEN1 (0.46) CRHR1

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 CRHR1 1464/4885MARS1 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.