SCHEMBL6463555

SCHEMBL6463555

COc1cccc(N(C(=O)C(F)(F)F)C2CCC(Nc3cc(C(F)(F)F)c4ccccc4n3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
OPRM1 P35372 2/20 0.40
MCHR1 Q99705 5/20 0.40
ADRA2A P08913 2/20 0.39
GPR6 P46095 1/20 0.38
HIF1A Q16665 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
SCHEMBL6455397 0.87 CNR2 (0.41) MEN1KMT2ALMNACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL6463549 0.80 MCHR1 (0.51) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL6464250 0.80 LMNA (0.50) MEN1KMT2ALMNAMCHR1ADRA2A
SCHEMBL6462481 0.77 KDM4E (0.50) MEN1KMT2ALMNAMCHR1ADRA2A
SCHEMBL6462855 0.76 MCHR1 (0.41) OPRM1MCHR1MAPT
SCHEMBL6460870 0.76 KDM4E (0.52) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL6459355 0.74 MCHR1 (0.46) LMNAMCHR1KDM4ESMN1; SMN2
SCHEMBL6457769 0.74 LMNA (0.46) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL6457061 0.73 KDM4E (0.48) LMNAMCHR1ADRA2AGPR6KDM4E
SCHEMBL6878756 0.71 MCHR1 (0.50) LMNAMCHR1ADRA2AKDM4ESMN1; 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 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 MEN1 734/4885KMT2A 693/4885LMNA 3391/4885

“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.