SCHEMBL1593390

SCHEMBL1593390

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 14/20 0.63
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.49
ADORA2A P29274 1/20 0.49
ABCB1 P08183 1/20 0.48

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
SCHEMBL1592526 0.88 ABCG2 (0.64) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29763302 0.88 ABCG2 (0.64) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1592591 0.88 ABCG2 (0.63) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1592610 0.88 ABCG2 (0.63) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL27907052 0.84 ABCG2 (0.62) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1593122 0.81 ABCG2 (0.57) ABCG2NPC1POLBRAB9AMEN1
SCHEMBL28281891 0.81 MAPT (0.63) ABCG2NPC1POLBRAB9AMEN1
SCHEMBL1594045 0.78 ABCG2 (0.56) ABCG2NPC1POLBRAB9AMEN1
SCHEMBL4736155 0.78 ABL1 (0.71) ABCG2NPC1RAB9AMEN1KMT2A
SCHEMBL5468622 0.77 AKR1C3 (0.64) ABCG2NPC1POLBRAB9AMEN1

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 41/4885NPC1 2621/4885POLB 2287/4885

“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.