SCHEMBL3339299

SCHEMBL3339299

Cc1csc2ncnc(N3CCC(NC(=O)OC(C)(C)C)C3)c12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49
ADRB3 P13945 3/20 0.49
AKT1 P31749 3/20 0.48
MAPK1 P28482 2/20 0.45
PDE10A Q9Y233 2/20 0.45
MAP4K4 O95819 2/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CTSK P43235 2/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6832454 0.94 ADRB2 (0.52) ADRB2ADRB1ADRB3AKT1MAPK1
SCHEMBL23599085 0.84 MAPT (0.55) AKT1MAPK1PDE10AMAP4K4CNR1
SCHEMBL6836231 0.81 LMNA (0.56) ADRB2ADRB1ADRB3MAPT
SCHEMBL27978531 0.80 ADRB2 (0.58) ADRB2ADRB1ADRB3AKT1MAPK1
SCHEMBL6836255 0.79 KMT2A (0.62) ADRB2ADRB1ADRB3
SCHEMBL20998588 0.79 CNR1 (0.49) AKT1PDE10AMAP4K4CNR1CNR2
SCHEMBL30033312 0.78 MAPT (0.59) MAPK1MAP4K4CNR1CNR2CKS1B
SCHEMBL23598901 0.78 MAPT (0.59) MAPK1MAP4K4CNR1CNR2CKS1B
SCHEMBL1921231 0.78 LMNA (0.58) MAPT
SCHEMBL6836170 0.78 KMT2A (0.51) ADRB2ADRB1ADRB3MAPT

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 ADRB2 882/4885ADRB1 993/4885ADRB3 1193/4885

“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.