SCHEMBL1592702

SCHEMBL1592702

COc1cccc(-c2nc(Cl)nc(Nc3cccc(Br)c3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.57
ABCB1 P08183 3/20 0.48
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
APP P05067 1/20 0.47
CHRNA7 P36544 1/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 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
SCHEMBL1594413 0.88 ADORA2A (0.57) ABCG2ABCB1APPCHRNA7TUBB4A
SCHEMBL1593122 0.86 ABCG2 (0.57) ABCG2ABCB1PIK3CBPIK3CGCHRNA7
SCHEMBL1592596 0.82 ABCG2 (0.56) ABCG2APPCHRNA7TUBB4ATUBB
SCHEMBL1592591 0.81 ABCG2 (0.63) ABCG2ABCB1MAPTSMN1; SMN2ADORA2A
SCHEMBL29609042 0.79 NFKB1 (0.64) PIK3CBPIK3CGAPPMAPTSMN1; SMN2
SCHEMBL13326017 0.79 NFKB1 (0.64) PIK3CBPIK3CGAPPMAPTSMN1; SMN2
SCHEMBL27835239 0.79 ABCG2 (0.51) ABCG2ABCB1APPMAPTSMN1; SMN2
SCHEMBL28929978 0.79 CHRNA7 (0.78) APPCHRNA7TUBB4ATUBBTUBA3C
SCHEMBL1592678 0.78 CLK4 (0.61) ABCG2ABCB1MAPTSMN1; SMN2NFKB1
SCHEMBL8978637 0.78 NFKB1 (0.65) ABCG2APPMAPTNFKB1ADORA2A

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 41/4885ABCB1 449/4885PIK3CB 4333/4885

“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.