SCHEMBL2295605

SCHEMBL2295605

Cc1nc2cnc3[nH]ccc3c2n1C1CCN(C(=O)C2CCCN2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.65
JAK1 P23458 19/20 0.65
AURKA O14965 1/20 0.65
PRKCA P17252 1/20 0.65
KDR P35968 1/20 0.65
TYK2 P29597 2/20 0.59
JAK3 P52333 2/20 0.59

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
SCHEMBL12385295 0.83 JAK1 (0.71) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2294483 0.82 JAK1 (0.69) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2296721 0.82 JAK1 (0.69) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2294489 0.82 JAK1 (0.69) JAK2JAK1AURKAPRKCAKDR
SCHEMBL12385427 0.81 JAK2 (0.90) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2280497 0.80 JAK2 (0.66) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2282049 0.80 JAK2 (1.00) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2292385 0.79 JAK1 (0.79) JAK2JAK1AURKAPRKCAKDR
SCHEMBL12385424 0.79 JAK1 (0.79) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2224086 0.79 JAK2 (1.00) JAK2JAK1AURKAPRKCAKDR

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 JAK2 122/4885JAK1 434/4885AURKA 2167/4885

“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.