SCHEMBL1594413

SCHEMBL1594413

COc1cccc(-c2nc(Cl)nc(Nc3ccccc3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.57
ADORA1 P30542 1/20 0.57
ABCG2 Q9UNQ0 5/20 0.55
ABCB1 P08183 3/20 0.55
CHRNA7 P36544 1/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 2/20 0.53
NFKB1 P19838 2/20 0.53
TP53 P04637 3/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
CASP1 P29466 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL1592596 0.89 ABCG2 (0.56) ADORA2AADORA1ABCG2CHRNA7MAPT
SCHEMBL1592702 0.88 ABCG2 (0.57) ADORA2AADORA1ABCG2ABCB1CHRNA7
SCHEMBL28929978 0.85 CHRNA7 (0.78) CHRNA7MAPTSMN1; SMN2TUBB4ATUBB
SCHEMBL1592591 0.83 ABCG2 (0.63) ADORA2AABCG2ABCB1MAPTSMN1; SMN2
SCHEMBL15131283 0.82 KCNH3 (0.70) ADORA2AADORA1ABCG2ABCB1MAPT
SCHEMBL19227754 0.82 MEN1 (0.72) ADORA2AADORA1ABCG2CHRNA7MAPT
SCHEMBL15094660 0.82 MEN1 (0.72) ADORA2AADORA1ABCG2CHRNA7MAPT
SCHEMBL1592678 0.82 CLK4 (0.61) ADORA2AADORA1ABCG2ABCB1MAPT
SCHEMBL29609042 0.81 NFKB1 (0.64) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL13326017 0.81 NFKB1 (0.64) MAPTSMN1; SMN2MEN1KMT2AMAPK1

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 ADORA2A 173/4885ADORA1 233/4885ABCG2 41/4885

“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.