SCHEMBL6463137

SCHEMBL6463137

COc1cc(NC(=S)N[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.41
RAD52 P43351 1/20 0.41
ADRA2A P08913 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PTK2 Q05397 1/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6463160 1.00 MCHR1 (0.43) MCHR1MAPTPOLBRAD52ADRA2A
SCHEMBL6874633 0.91 MAPT (0.49) MCHR1MAPTPOLBADRA2AKDM4E
SCHEMBL6874644 0.91 MAPT (0.49) MCHR1MAPTPOLBADRA2AKDM4E
SCHEMBL6467397 0.89 MAPT (0.45) MCHR1MAPTPOLBRAD52ADRA2A
SCHEMBL6467407 0.89 MAPT (0.45) MCHR1MAPTPOLBRAD52ADRA2A
SCHEMBL6872189 0.87 LMNA (0.53) MCHR1MAPTADRA2ASMN1; SMN2LMNA
SCHEMBL6872176 0.87 LMNA (0.53) MCHR1MAPTADRA2ASMN1; SMN2LMNA
SCHEMBL6457835 0.85 ALDH1A1 (0.47) MCHR1MAPTADRA2AKDM4ESMN1; SMN2
SCHEMBL6457820 0.85 ALDH1A1 (0.47) MCHR1MAPTADRA2AKDM4ESMN1; SMN2
SCHEMBL6874763 0.84 LMNA (0.43) MCHR1POLBADRA2AKDM4ESMN1; SMN2

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
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 claimed
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
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 MCHR1 2/4885MAPT 517/4885POLB 3369/4885

“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.