SCHEMBL3345323

SCHEMBL3345323

COc1cccc(CNc2ncnc3scc(C)c23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.53
EGFR P00533 4/20 0.52
PDE5A O76074 1/20 0.52
MAPT P10636 1/20 0.51
CLK4 Q9HAZ1 3/20 0.49
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
RAB9A P51151 1/20 0.49
ABL1 P00519 1/20 0.48
CDK1 P06493 1/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48

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
SCHEMBL3342307 0.89 RAB9A (0.58) TP53CCNCCDK8HTTSMN1; SMN2
SCHEMBL3342355 0.88 CCNC (0.55) TP53CCNCCDK8HTTSMN1; SMN2
SCHEMBL3342319 0.86 CCNC (0.70) TP53CCNCCDK8HTTSMN1; SMN2
SCHEMBL3340230 0.84 RAB9A (0.51) CCNCCDK8HTTSMN1; SMN2EGFR
SCHEMBL3339831 0.84 HTT (0.51) TP53CCNCCDK8HTTSMN1; SMN2
SCHEMBL3343049 0.83 RAB9A (0.60) CCNCCDK8HTTSMN1; SMN2MAPK1
SCHEMBL3339911 0.83 TNF (0.65) TP53CCNCCDK8HTTSMN1; SMN2
SCHEMBL3340270 0.81 RAB9A (0.52) CCNCCDK8HTTSMN1; SMN2MAPK1
SCHEMBL24353290 0.78 PDE4A (0.47) TP53HTTEGFRMAPTMEN1
SCHEMBL3340533 0.78 RAB9A (0.49) CCNCCDK8HTTSMN1; SMN2MAPK1

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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 TP53 1645/4885CCNC 2364/4885CDK8 809/4885

“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.