SCHEMBL16490494

SCHEMBL16490494

Cc1ccc(-c2sc(NC3CCCCC3)nc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
PI4KB Q9UBF8 11/20 0.56
ACHE P22303 4/20 0.52
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
CCND3 P30281 1/20 0.44
CDK6 Q00534 1/20 0.44
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL14851898 0.87 PI4KB (0.61) NPC1RAB9API4KBACHEADORA1
SCHEMBL16490541 0.80 PI4KB (0.69) PI4KB
SCHEMBL16490517 0.80 PI4KB (0.69) PI4KB
SCHEMBL14851841 0.77 PI4KB (0.87) PI4KB
SCHEMBL14851710 0.77 PI4KB (0.87) PI4KB
SCHEMBL17904362 0.76 PI4KB (0.78) PI4KB
SCHEMBL17904357 0.76 PI4KB (0.78) PI4KB
SCHEMBL17904363 0.76 PI4KB (0.77) PI4KB
SCHEMBL16490576 0.75 PI4KB (0.71) PI4KB
SCHEMBL18480756 0.74 CDK4 (0.51) NPC1RAB9API4KBCDK4CCND1

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-9309236-B2 PI-kinase inhibitors with broad spectrum anti-infective activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-04-12 US disclosed
US-20150051193-A1 PI-kinase Inhibitors with Broad Spectrum Anti-Infective Activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-02-19 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-20150051193-A1 PI-kinase Inhibitors with Broad Spectrum Anti-Infective Activity PIP4K2A, PIP5K1A, PIP4K2C NPC1 4136/4885RAB9A 1890/4885PI4KB 9/4885

“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.