SCHEMBL3124028

SCHEMBL3124028

Cc1nc(Cl)cc(NC2CCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NUDT1 P36639 1/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CDC7 O00311 2/20 0.44
GSK3B P49841 2/20 0.44
CHEK1 O14757 1/20 0.44
MAPK13 O15264 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
DYRK3 O43781 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
EGFR P00533 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL9084790 0.82 KMT2A (0.57) MEN1KMT2ANUDT1LMNAKDM4E
SCHEMBL9083981 0.81 MEN1 (0.56) MEN1KMT2ANUDT1LMNAKDM4E
SCHEMBL9085696 0.81 KMT2A (0.56) MEN1KMT2ANUDT1LMNAKDM4E
SCHEMBL6050581 0.81 KMT2A (0.60) MEN1KMT2ANUDT1LMNAKDM4E
SCHEMBL1316806 0.79 NUDT1 (0.64) MEN1KMT2ANUDT1CDC7GSK3B
SCHEMBL13950514 0.79 MEN1 (0.50) MEN1KMT2ANUDT1LMNAKDM4E
SCHEMBL20440655 0.79 KCNN2 (0.52) MEN1KMT2ANUDT1LMNAKDM4E
SCHEMBL16711168 0.78 NUDT1 (0.67) MEN1KMT2ANUDT1LMNAKDM4E
SCHEMBL1318447 0.78 NUDT1 (0.67) MEN1KMT2ANUDT1LMNAKDM4E
SCHEMBL21143935 0.76 CDC7 (0.46) MEN1KMT2ANUDT1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
CN-101193868-A Pyrimidine derivatives for the treatment of GABA B mediated nervous system disorders NOVARTIS AG (CH) 2008-06-04 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 MEN1 1439/4885KMT2A 2439/4885NUDT1 2/4885

“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.