SCHEMBL2063772

SCHEMBL2063772

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
EGFR P00533 7/20 0.46
ERBB3 P21860 3/20 0.46
JAK3 P52333 2/20 0.46
TNNI3K Q59H18 7/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
CFD P00746 1/20 0.43
CCNT1 O60563 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
ABL2 P42684 1/20 0.42

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
SCHEMBL2063774 0.87 CFD (0.48) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL27345372 0.84 EGFR (0.46) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL27318793 0.82 EGFR (0.67) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL27338330 0.82 MEN1 (0.50) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL27322736 0.81 CFD (0.47) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL27332161 0.81 JAK3 (0.58) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL27323503 0.81 EGFR (0.45) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL27318729 0.81 CFD (0.49) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL27338344 0.80 JAK3 (0.49) EGFRERBB3JAK3ABL1BCR
SCHEMBL27344277 0.80 JAK3 (0.52) EGFRERBB3JAK3CFD

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
EP-1824856-B1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
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

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 MEN1 2788/4885KMT2A 2513/4885NPC1 394/4885

“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.