SCHEMBL6411228

SCHEMBL6411228

OC(CSc1nnc(-c2cccnc2)[nH]1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.38
BTK Q06187 1/20 0.36
RAB9A P51151 1/20 0.35
CETP P11597 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LDHA P00338 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
CYP11B1 P15538 1/20 0.34
HPGDS O60760 1/20 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
SCHEMBL6411295 0.82 MAPK14 (0.41) NPY5RBTKRAB9AKDM4ELDHA
SCHEMBL6403222 0.74 GRK6 (0.35) RAB9ACETPKDM4ELMNAHPGD
SCHEMBL16907285 0.74 BTK (0.49) NPY5RBTKRAB9AKDM4ELDHA
SCHEMBL6406665 0.72 NPY5R (0.42) NPY5RBTKRAB9AKDM4ELDHA
SCHEMBL6405361 0.71 ALDH1A1 (0.56) RAB9AKDM4ELMNAHPGD
SCHEMBL13831663 0.69 HPGD (0.42) RAB9AKDM4EEPHX2LMNAHPGD
SCHEMBL6408678 0.69 CYP3A4 (0.40) NPY5RBTKKDM4ELDHAEPHX2
SCHEMBL6408310 0.69 KMT2A (0.52) RAB9AKDM4ELMNAHPGD
SCHEMBL16896257 0.69 BTK (0.44) NPY5RBTKRAB9AKDM4ELDHA
SCHEMBL30404893 0.68 NPY5R (0.51) NPY5RBTKRAB9AKDM4ELDHA

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT NPY5R 4855/4885BTK 2660/4885RAB9A 4278/4885

“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.