SCHEMBL1179196

SCHEMBL1179196

Cc1cc(C(N)=NO)nc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL16963881 0.79 KMT2A (0.41) LMNAKMT2AMEN1POLBALDH1A1
SCHEMBL16987198 0.79 KMT2A (0.41) LMNAKMT2AMEN1POLBALDH1A1
SCHEMBL1178392 0.77 LMNA (0.73) LMNAKMT2AMEN1POLBALDH1A1
SCHEMBL1178896 0.77 NOS3 (0.43) LMNAKMT2AMEN1POLBALDH1A1
SCHEMBL1179996 0.75 MAPT (0.35) LMNAKMT2AMEN1POLBALDH1A1
SCHEMBL1179165 0.75 LMNA (0.33) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1179341 0.75 CYP1A2 (0.42) LMNAKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL12852890 0.74 LMNA (0.37) LMNAKMT2APOLBALDH1A1MAPK1
SCHEMBL1424859 0.71 ALDH1A1 (0.34) LMNAKMT2AMEN1POLBALDH1A1
SCHEMBL1178748 0.71 MAPK1 (0.44) LMNAKMT2AMEN1POLBALDH1A1

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-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
CN-101965346-A Novel pyrimidine-pyridine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 CN disclosed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 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-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 LMNA 4841/4885KMT2A 3361/4885MEN1 4570/4885

“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.