SCHEMBL1179623

SCHEMBL1179623

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 1/20 0.36
CRHR1 P34998 12/20 0.35
TERT O14746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL1179067 0.91 CRHR1 (0.35) TDP1KDM4ECRHR1HCRTR1HCRTR2
SCHEMBL1180186 0.86 HCRTR1 (0.35) CRHR1ALDH1A1HTTHCRTR1HCRTR2
SCHEMBL1179261 0.82 HCRTR1 (0.35) CRHR1ALDH1A1HTTHCRTR1HCRTR2
SCHEMBL1179163 0.82 LMNA (0.33) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL1425689 0.81 MAPT (0.36) TDP1KDM4ECRHR1TERTMEN1
SCHEMBL1179135 0.81 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL1179727 0.77 HRH4 (0.33)
SCHEMBL1179515 0.77 ESR1 (0.39) HCRTR1HCRTR2
SCHEMBL1180064 0.76 KDM4E (0.48) TDP1KDM4ECRHR1MEN1KMT2A
SCHEMBL12871102 0.75 TDP1 (0.53) TDP1CRHR1ALDH1A1HTTTSHR

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 TDP1 698/4885KDM4E 1861/4885CRHR1 4544/4885

“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.