SCHEMBL3341397

SCHEMBL3341397

COC(=O)C1CCN(c2ncnc3scc(C)c23)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
RAB9A P51151 1/20 0.54
ADRB2 P07550 3/20 0.52
ADRB1 P08588 3/20 0.52
ADRB3 P13945 3/20 0.52
MAPK1 P28482 2/20 0.51
CHRM4 P08173 4/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
STAT3 P40763 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NR2F2 P24468 1/20 0.44

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
SCHEMBL3342327 0.89 MAPT (0.70) MAPTRAB9AADRB2ADRB1ADRB3
SCHEMBL3345764 0.86 RAB9A (0.51) MAPTRAB9AADRB2ADRB1ADRB3
SCHEMBL27978531 0.85 ADRB2 (0.58) MAPTRAB9AADRB2ADRB1ADRB3
SCHEMBL4433890 0.79 ADRB2 (0.51) MAPTADRB2ADRB1ADRB3MAPK1
SCHEMBL6832454 0.78 ADRB2 (0.52) MAPTRAB9AADRB2ADRB1ADRB3
SCHEMBL3340223 0.76 NPSR1 (0.56) MAPTRAB9AMAPK1HTTKDM4E
SCHEMBL16293426 0.76 ADRB2 (0.51) ADRB2ADRB1ADRB3STAT3
SCHEMBL3404456 0.75 KMT2A (0.72) MAPTRAB9AADRB2ADRB1ADRB3
SCHEMBL3340197 0.75 LRRK2 (0.53) MAPTADRB2ADRB1ADRB3MAPK1
SCHEMBL3339299 0.75 ADRB2 (0.49) MAPTADRB2ADRB1ADRB3MAPK1

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 MAPT 2488/4885RAB9A 2578/4885ADRB2 882/4885

“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.