SCHEMBL6460993

SCHEMBL6460993

COc1ccc(NC(=S)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 6/20 0.40
RAB9A P51151 3/20 0.40
GFER P55789 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2A P08913 1/20 0.39
MCHR1 Q99705 1/20 0.39
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6460982 1.00 SMN1; SMN2 (0.40) SMN1; SMN2GAARAB9AGFERKIT
SCHEMBL6833719 0.90 MAPT (0.38) GAARAB9AMAPTALDH1A1KDM4E
SCHEMBL6457954 0.90 MAPT (0.38) GAARAB9AMAPTALDH1A1KDM4E
SCHEMBL6458641 0.89 SMN1; SMN2 (0.47) SMN1; SMN2GAARAB9AGFERMAPT
SCHEMBL6458645 0.89 SMN1; SMN2 (0.47) SMN1; SMN2GAARAB9AGFERMAPT
SCHEMBL6868226 0.88 BCHE (0.46) SMN1; SMN2RAB9AKMT2AMAPTALDH1A1
SCHEMBL6868231 0.88 BCHE (0.46) SMN1; SMN2RAB9AKMT2AMAPTALDH1A1
SCHEMBL6871930 0.87 RAB9A (0.56) SMN1; SMN2GAARAB9AMEN1KMT2A
SCHEMBL6871934 0.87 RAB9A (0.56) SMN1; SMN2GAARAB9AMEN1KMT2A
SCHEMBL6868701 0.87 LMNA (0.45) SMN1; SMN2GAARAB9AMEN1KMT2A

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 5 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
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 SMN1; SMN2 1477/4885GAA 484/4885RAB9A 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.