SCHEMBL2063774

SCHEMBL2063774

NCc1cccc(Nc2cc(Nc3ccc(O)cc3)ncn2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
JAK3 P52333 2/20 0.45
EGFR P00533 8/20 0.44
ENPP2 Q13822 1/20 0.44
ERBB3 P21860 4/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
TNNI3K Q59H18 3/20 0.41

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
SCHEMBL2063772 0.87 MEN1 (0.48) CFDMEN1KMT2ANPC1RAB9A
SCHEMBL27345372 0.86 EGFR (0.46) CFDMEN1KMT2ANPC1RAB9A
SCHEMBL27322736 0.86 CFD (0.47) CFDMEN1KMT2ANPC1RAB9A
SCHEMBL27977809 0.85 ENPP2 (0.55) CFDMEN1KMT2AMAPTENPP2
SCHEMBL27338330 0.81 MEN1 (0.50) CFDMEN1KMT2ANPC1RAB9A
SCHEMBL27318793 0.81 EGFR (0.67) CFDMEN1KMT2ANPC1RAB9A
SCHEMBL27318729 0.80 CFD (0.49) CFDMEN1KMT2ANPC1RAB9A
SCHEMBL27332161 0.80 JAK3 (0.58) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL27323503 0.80 EGFR (0.45) CFDMEN1KMT2ANPC1RAB9A
SCHEMBL27319709 0.79 EGFR (0.58) CFDMEN1KMT2ANPC1RAB9A

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-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
CN-1047778-C Pyrimido [5-4-d] pyrimidines, drugs containing these compounds, their use and process for preparing them THOMAE GMBH DR K (DE) 1999-12-29 CN 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-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CFD 4518/4885MEN1 2788/4885KMT2A 2513/4885

“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.