SCHEMBL1592591

SCHEMBL1592591

COc1cccc(-c2nc(Cl)nc(Nc3cccc([N+](=O)[O-])c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 16/20 0.63
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADORA2A P29274 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
SCHEMBL29763302 0.88 ABCG2 (0.64) ABCG2MEN1MAPTKMT2AGAA
SCHEMBL1592526 0.88 ABCG2 (0.64) ABCG2MEN1MAPTKMT2AGAA
SCHEMBL1592610 0.88 ABCG2 (0.63) ABCG2MEN1MAPTKMT2AGAA
SCHEMBL1593390 0.88 ABCG2 (0.63) ABCG2MEN1MAPTKMT2AGAA
SCHEMBL27907052 0.84 ABCG2 (0.62) ABCG2MEN1MAPTKMT2AGAA
SCHEMBL1594413 0.83 ADORA2A (0.57) ABCG2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL1592702 0.81 ABCG2 (0.57) ABCG2MAPTSMN1; SMN2ADORA2AABCB1
SCHEMBL27815788 0.81 ABCG2 (0.64) ABCG2MEN1MAPTKMT2AGAA
SCHEMBL5031319 0.80 NFKB1 (0.56) ABCG2MEN1MAPTKMT2AGAA
SCHEMBL1592596 0.78 ABCG2 (0.56) ABCG2MEN1MAPTKMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092490-A1 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS THE UNIVERSITY OF NOTTINGHAM (GB) 2011-04-21 US disclosed
WO-2009118567-A2 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS THE UNIVERSITY OF NOTTINGHAM (GB) 2009-10-01 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-20110092490-A1 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS HRH2, HRH3, HRH4 ABCG2 41/4885MEN1 3293/4885MAPT 4355/4885

“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.