SCHEMBL2293705

SCHEMBL2293705

CC1CCN(C(=O)CC#N)CC1n1cnc2cnc3[nH]ccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 1.00
JAK2 O60674 16/20 1.00
JAK1 P23458 14/20 1.00
TYK2 P29597 5/20 1.00
STK3 Q13188 2/20 0.56
MAP4K3 Q8IVH8 1/20 0.56
MAP4K5 Q9Y4K4 1/20 0.56
DCLK1 O15075 1/20 0.56
ROCK2 O75116 1/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
RET P07949 1/20 0.56
PRKCA P17252 1/20 0.56
MARK3 P27448 1/20 0.56
KDR P35968 1/20 0.56
MAP2K1 Q02750 1/20 0.56
PRKCD Q05655 1/20 0.56
TNK2 Q07912 1/20 0.56
PDE4D Q08499 1/20 0.56

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
SCHEMBL2290021 0.87 JAK1 (0.90) JAK3JAK2JAK1TYK2
SCHEMBL2290016 0.87 JAK1 (0.90) JAK3JAK2JAK1TYK2
SCHEMBL566570 0.86 JAK3 (1.00) JAK3JAK2JAK1TYK2STK3
SCHEMBL566711 0.86 JAK3 (1.00) JAK3JAK2JAK1TYK2STK3
SCHEMBL30398563 0.86 JAK3 (1.00) JAK3JAK2JAK1TYK2STK3
SCHEMBL2294614 0.85 JAK1 (1.00) JAK3JAK2JAK1TYK2PRKCA
SCHEMBL565478 0.85 JAK3 (1.00) JAK3JAK2JAK1TYK2STK3
SCHEMBL566984 0.85 JAK3 (1.00) JAK3JAK2JAK1TYK2STK3
SCHEMBL565592 0.84 JAK3 (0.83) JAK3JAK2JAK1TYK2STK3
SCHEMBL566478 0.84 JAK3 (0.83) JAK3JAK2JAK1TYK2STK3

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 7 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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
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
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO 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 JAK3 780/4885JAK2 122/4885JAK1 434/4885

“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.