SCHEMBL6459546

SCHEMBL6459546

CCN(C)c1nc(Cl)ncc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.42
MCHR1 Q99705 1/20 0.35
MAT2A P31153 2/20 0.34
RPS6KA5 O75582 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR1 O14842 1/20 0.31
GBA1 P04062 1/20 0.31
HTR5A P47898 1/20 0.30
PRMT5 O14744 1/20 0.30
CYP1A2 P05177 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
SCHEMBL1424004 0.83 TDP1 (0.36) MAT2ARPS6KA5MEN1KMT2ALATS1
SCHEMBL4265514 0.80 MCHR1 (0.37) NUDT1MCHR1RPS6KA5MEN1KMT2A
SCHEMBL1400922 0.78 NUDT1 (0.40) NUDT1RPS6KA5FFAR1GBA1
SCHEMBL26793845 0.77 KDM4E (0.44) MAT2AMEN1KMT2AALDH1A1GBA1
SCHEMBL17285711 0.74 PIN1 (0.44)
SCHEMBL7262209 0.73 CYP2C19 (0.53) MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19592703 0.73 NUDT1 (0.39) NUDT1MCHR1
SCHEMBL18826085 0.70 MAT2A (0.35) MAT2AALDH1A1GBA1PRMT5CYP1A2
SCHEMBL15434051 0.69 TDP1 (0.44) RPS6KA5MEN1KMT2ALATS1LATS2
SCHEMBL13812808 0.69 JAK3 (0.47) MEN1KMT2AGBA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 NUDT1 628/4885MCHR1 2/4885MAT2A 332/4885

“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.