SCHEMBL3342355

SCHEMBL3342355

COc1cc(CNc2ncnc3scc(C)c23)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.55
CDK8 P49336 1/20 0.55
HTT P42858 4/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
THRB P10828 1/20 0.43
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
LMNA P02545 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
FGFR1 P11362 1/20 0.41
ESR1 P03372 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3345323 0.88 TP53 (0.60) CCNCCDK8HTTRAB9ASMN1; SMN2
SCHEMBL3342319 0.88 CCNC (0.70) CCNCCDK8HTTRAB9ASMN1; SMN2
SCHEMBL3338968 0.82 RAB9A (0.49) CCNCCDK8HTTRAB9ASMN1; SMN2
SCHEMBL3339911 0.82 TNF (0.65) CCNCCDK8HTTRAB9ASMN1; SMN2
SCHEMBL5334693 0.81 TP53 (0.68) HTTRAB9ATP53MAPTMAPK1
SCHEMBL3340270 0.80 RAB9A (0.52) CCNCCDK8HTTRAB9ASMN1; SMN2
SCHEMBL3342307 0.79 RAB9A (0.58) CCNCCDK8HTTRAB9ASMN1; SMN2
SCHEMBL3343049 0.79 RAB9A (0.60) CCNCCDK8HTTRAB9ASMN1; SMN2
SCHEMBL3342180 0.78 HTT (0.60) CCNCCDK8HTTRAB9ASMN1; SMN2
SCHEMBL3339949 0.77 RAB9A (0.52) CCNCCDK8HTTRAB9ASMN1; 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 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 CCNC 2364/4885CDK8 809/4885HTT 383/4885

“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.