SCHEMBL6459533

SCHEMBL6459533

COc1cccc(NC(=O)N(OC(=O)C(F)(F)F)C2CCC(Nc3nc(C)c(C)c(N(C)C)n3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.44
ADRA2A P08913 2/20 0.39
CDK1 P06493 2/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
GALR2 O43603 2/20 0.36
GALR1 P47211 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
EGFR P00533 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL6459529 0.83 NPC1 (0.51) MCHR1ADRA2AMAPTNPC1RAB9A
SCHEMBL4257938 0.82 MCHR1 (0.42) MCHR1MAPTPOLBGALR2GALR1
Trifluoroacetic Acid SCHEMBL6873701 0.77 MCHR1 (0.46) MCHR1ADRA2A
SCHEMBL6461348 0.74 MCHR1 (0.72) MCHR1ADRA2A
SCHEMBL6461358 0.74 MCHR1 (0.72) MCHR1ADRA2A
SCHEMBL6455920 0.71 MCHR1 (0.54) MCHR1ADRA2A
SCHEMBL6459651 0.70 MCHR1 (0.67) MCHR1ADRA2A
SCHEMBL6462208 0.70 MCHR1 (0.50) MCHR1ADRA2ACDK1
Trifluoroacetic Acid SCHEMBL6455722 0.70 MCHR1 (0.48) MCHR1ADRA2AFLT3TYRO3MERTK
SCHEMBL6459661 0.70 MCHR1 (0.67) MCHR1ADRA2A

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 2 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 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 2/4885ADRA2A 117/4885CDK1 594/4885

“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.