SCHEMBL12424487

SCHEMBL12424487

CCC1CCN(c2ccncn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.49
SORD Q00796 1/20 0.49
LSS P48449 1/20 0.43
RIPK1 Q13546 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
PARP1 P09874 1/20 0.40
DRD4 P21917 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
AKT1 P31749 1/20 0.38
CDK1 P06493 1/20 0.38
GRM1 Q13255 1/20 0.38
F10 P00742 1/20 0.38
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
SMO Q99835 1/20 0.37
PIK3CD O00329 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL26972630 0.91 GPR119 (0.44) GPR119SORDLSSRIPK1JAK2
SCHEMBL26972637 0.91 GPR119 (0.44) GPR119SORDLSSRIPK1JAK2
SCHEMBL13744594 0.88 GPR119 (0.50) GPR119SORDLSSRIPK1JAK2
SCHEMBL25687828 0.85 GPR119 (0.48) GPR119SORDLSSRIPK1JAK2
SCHEMBL6066639 0.84 CHEK1 (0.52) GPR119SORDLSSRIPK1JAK2
SCHEMBL16597339 0.84 SORD (0.56) GPR119SORDLSSRIPK1JAK2
SCHEMBL4771414 0.84 SORD (0.49) GPR119SORDLSSRIPK1JAK2
SCHEMBL803304 0.83 ROCK2 (0.50) GPR119SORDLSSRIPK1JAK2
Hydrochloric Acid SCHEMBL784901 0.82 ROCK2 (0.49) GPR119SORDLSSRIPK1JAK2
SCHEMBL26972690 0.82 GPBAR1 (0.46) GPR119SORDJAK2JAK1TYK2

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 GPR119 1947/4885SORD 2313/4885LSS 222/4885

“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.