SCHEMBL6462237

SCHEMBL6462237

CN(C)c1ccnc(NC2CCC(NC(=O)Cc3c[nH]c4ccccc34)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
NPY5R Q15761 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
MAPK8 P45983 3/20 0.49
MAPK9 P45984 3/20 0.49
MAPK10 P53779 2/20 0.49
CDK2 P24941 4/20 0.47
HTR1A P08908 3/20 0.47
JUN P05412 2/20 0.47
GLA P06280 1/20 0.44
CDK5 Q00535 2/20 0.44
CCNE1 P24864 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CDC7 O00311 1/20 0.43
DAPK3 O43293 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL6460015 1.00 HTT (0.52) HTTHPGDRECQLNPY5RSIGMAR1
SCHEMBL6875264 0.87 LMNA (0.54) HTTMAPK8MAPK9MAPK10CDK2
SCHEMBL6875682 0.85 SIGMAR1 (0.52) SIGMAR1MAPTMEN1KMT2APOLB
SCHEMBL6875686 0.85 SIGMAR1 (0.52) SIGMAR1MAPTMEN1KMT2APOLB
SCHEMBL6877981 0.85 MAPK8 (0.49) HTTHPGDRECQLNPY5RMAPK8
SCHEMBL6877984 0.85 MAPK8 (0.49) HTTHPGDRECQLNPY5RMAPK8
SCHEMBL6456613 0.85 SIGMAR1 (0.48) SIGMAR1CDK2CDK5GSK3BSMN1; SMN2
SCHEMBL6456622 0.85 SIGMAR1 (0.48) SIGMAR1CDK2CDK5GSK3BSMN1; SMN2
SCHEMBL6874855 0.84 ALDH1A1 (0.41) SIGMAR1MAPK8MAPK9MAPK10CDK2
SCHEMBL6874860 0.84 ALDH1A1 (0.41) SIGMAR1MAPK8MAPK9MAPK10CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
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
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 HTT 500/4885HPGD 2310/4885RECQL 385/4885

“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.