SCHEMBL1179261

SCHEMBL1179261

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
CRHR1 P34998 4/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1179623 0.82 TDP1 (0.40) HCRTR1HCRTR2ALDH1A1HTTCRHR1
SCHEMBL1179727 0.81 HRH4 (0.33) SMN1; SMN2
SCHEMBL1180186 0.81 HCRTR1 (0.35) HCRTR1HCRTR2ALDH1A1HTTCRHR1
SCHEMBL1178935 0.78 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1HTTCRHR1
SCHEMBL12871105 0.78 HTT (0.45) HCRTR1HCRTR2ALDH1A1HTTCRHR1
SCHEMBL1179067 0.78 CRHR1 (0.35) HCRTR1HCRTR2CRHR1HPGD
SCHEMBL1179515 0.78 ESR1 (0.39) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL1179163 0.77 LMNA (0.33) ALDH1A1SMN1; SMN2
SCHEMBL1179135 0.76 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL1179265 0.75 HCRTR1 (0.35) HCRTR1HCRTR2ALDH1A1HTT

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 4282/4885ALDH1A1 1658/4885

“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.