SCHEMBL6472282

SCHEMBL6472282

Cc1ccnc(C2(C(N)=O)CCCCC2N)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 1/20 0.34
OPRM1 P35372 12/20 0.33
ALOX15 P16050 1/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33

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
SCHEMBL6470652 0.86 SLC6A3 (0.41) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6472499 0.79 HSD11B1 (0.32) HSD11B1
SCHEMBL29155747 0.73 KMT2A (0.46) KMT2AKDM4EALDH1A1HSD17B10HSD11B1
SCHEMBL19668539 0.71 SMN1; SMN2 (0.31)
SCHEMBL5533336 0.71 HCRTR1 (0.31)
SCHEMBL6472296 0.69 HSD11B1 (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5534109 0.69 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6472239 0.68 RXFP1 (0.43) KMT2AALDH1A1HPGD
SCHEMBL2141684 0.67 KMT2A (0.38) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5527145 0.67 ACHE (0.33)

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 1 patent. 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

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 693/4885KDM4E 1190/4885ALDH1A1 2036/4885

“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.