SCHEMBL2290087

SCHEMBL2290087

Cc1nc2cnc3[nH]ccc3c2n1C1CCC(NC(=O)CC(F)(F)F)C1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.67
JAK2 O60674 13/20 0.67
TYK2 P29597 4/20 0.59
JAK3 P52333 4/20 0.59
AURKA O14965 1/20 0.56
PRKCA P17252 1/20 0.56
KDR P35968 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
SCHEMBL12425935 1.00 JAK1 (0.67) JAK1JAK2TYK2JAK3AURKA
SCHEMBL2294769 0.86 JAK1 (0.63) JAK1JAK2TYK2JAK3AURKA
SCHEMBL2292767 0.86 JAK2 (0.67) JAK1JAK2TYK2JAK3
SCHEMBL2276874 0.84 JAK1 (0.77) JAK1JAK2TYK2JAK3AURKA
SCHEMBL12425886 0.84 JAK1 (0.75) JAK1JAK2TYK2JAK3AURKA
SCHEMBL12424389 0.84 JAK1 (0.75) JAK1JAK2TYK2JAK3AURKA
SCHEMBL2292476 0.84 JAK1 (0.75) JAK1JAK2TYK2JAK3AURKA
SCHEMBL2299361 0.84 JAK1 (0.74) JAK1JAK2TYK2JAK3AURKA
SCHEMBL2296313 0.82 JAK1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL10281990 0.81 JAK1 (0.55) JAK1JAK2TYK2JAK3

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 JAK1 434/4885JAK2 122/4885TYK2 827/4885

“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.