SCHEMBL4400350

SCHEMBL4400350

Cc1cccc(Nc2ccncn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.54
RAB9A P51151 3/20 0.54
TNNI3K Q59H18 3/20 0.51
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MKNK1 Q9BUB5 4/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MKNK2 Q9HBH9 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
HIF1A Q16665 1/20 0.46
NFKB1 P19838 1/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45

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
SCHEMBL30199845 1.00 EGFR (0.54) EGFRRAB9ATNNI3KNPSR1KMT2A
SCHEMBL1387302 0.82 EGFR (0.72) EGFRRAB9ATNNI3KNPSR1KMT2A
SCHEMBL658048 0.80 SYK (0.60) EGFRHTTMAPTHDAC6MKNK1
SCHEMBL8798729 0.80 GSK3A (0.52) EGFRTNNI3KMKNK1PTGS1PTGS2
SCHEMBL3949696 0.80 HTR3E (0.59) EGFRTNNI3KKMT2AMEN1MKNK1
SCHEMBL6837492 0.79 RAB9A (0.63) EGFRRAB9ATNNI3KNPSR1KMT2A
SCHEMBL27856995 0.79 KDR (0.55) EGFRMAPTHDAC6MKNK1
SCHEMBL1323687 0.78 MAPT (0.53) RAB9AKMT2AMAPTMEN1MAPK1
SCHEMBL10412682 0.77 NFKB1 (0.57) EGFRTNNI3KNPSR1HTTMAPK1
SCHEMBL18772775 0.77 TNNI3K (0.59) EGFRRAB9ATNNI3KNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA, S.A. (ES) 2009-12-10 US disclosed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 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-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity HRH4, HRH2, HRH3 EGFR 1806/4885RAB9A 3144/4885TNNI3K 4534/4885

“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.