SCHEMBL1179138

SCHEMBL1179138

CCCN(C)c1nc(C)cc(C(N)=NO)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 17/20 0.36
HCRTR2 O43614 17/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL1180187 0.88 HCRTR1 (0.33) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL1179068 0.84 MEN1 (0.36) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL1179517 0.82 ESR1 (0.36) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL1179165 0.82 LMNA (0.33) MEN1KMT2A
SCHEMBL1179625 0.81 KDM4E (0.42) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL1179729 0.79 HRH4 (0.33) MEN1KMT2A
SCHEMBL1180561 0.78 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL12870953 0.78 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1179265 0.76 HCRTR1 (0.35) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL1179135 0.74 HCRTR1 (0.39) HCRTR1HCRTR2CA1CA2CA9

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-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US 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 MEN1 4570/4885KMT2A 3361/4885HCRTR1 4338/4885

“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.