SCHEMBL6472236

SCHEMBL6472236

Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
GHSR Q92847 1/20 0.48
USP2 O75604 2/20 0.48
GPBAR1 Q8TDU6 3/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6463319 1.00 KMT2A (0.63) KMT2AALDH1A1RAB9ATSHRLMNA
SCHEMBL6467791 0.92 GHSR (0.58) KMT2AALDH1A1HTTGHSRUSP2
SCHEMBL6461899 0.92 GHSR (0.58) KMT2AALDH1A1HTTGHSRUSP2
SCHEMBL6461754 0.89 HTT (0.53) KMT2AALDH1A1LMNAHTTGHSR
SCHEMBL6461762 0.89 HTT (0.53) KMT2AALDH1A1LMNAHTTGHSR
SCHEMBL13793334 0.86 KMT2A (0.61) KMT2ALMNAGHSRUSP2MAPT
SCHEMBL27651758 0.82 MCHR1 (0.54) TSHRHPGD
SCHEMBL6867574 0.81 KMT2A (0.64) KMT2AALDH1A1TSHRLMNAHTT
SCHEMBL6867571 0.81 KMT2A (0.64) KMT2AALDH1A1TSHRLMNAHTT
SCHEMBL13794442 0.79 MCHR1 (0.62) KMT2AALDH1A1LMNAGHSRMAPT

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
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
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 KMT2A 693/4885ALDH1A1 2036/4885RAB9A 1648/4885

“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.