SCHEMBL1180187

SCHEMBL1180187

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.33
HCRTR2 O43614 15/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR1 P34998 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL1179138 0.88 MEN1 (0.37) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL1179625 0.86 KDM4E (0.42) HCRTR1HCRTR2MEN1KMT2ACRHR1
SCHEMBL1179517 0.84 ESR1 (0.36) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL1179165 0.84 LMNA (0.33) MEN1KMT2AALDH1A1HTT
SCHEMBL1179265 0.81 HCRTR1 (0.35) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL1179068 0.81 MEN1 (0.36) HCRTR1HCRTR2MEN1KMT2ACRHR1
SCHEMBL1179729 0.79 HRH4 (0.33) MEN1KMT2A
SCHEMBL1179543 0.76 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL12870911 0.76 CRHR1 (0.46) HCRTR1HCRTR2CRHR1ALDH1A1HTT
SCHEMBL1425691 0.74 GAA (0.36) MEN1KMT2AALDH1A1HTT

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 HCRTR1 4338/4885HCRTR2 4282/4885MEN1 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.