SCHEMBL481843

SCHEMBL481843

CC(c1ccccc1)n1c(=O)[nH]c2ncc(-c3ccc(C#N)cc3)nc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.60
MTOR P42345 7/20 0.55
USP1 O94782 1/20 0.43
MAP3K11 Q16584 3/20 0.42
ATR Q13535 2/20 0.40
JAK2 O60674 3/20 0.40
JAK3 P52333 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
JAK1 P23458 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL481842 1.00 FYN (0.60) FYNMTORUSP1MAP3K11ATR
SCHEMBL975509 0.89 FYN (0.72) FYNMTORUSP1MAP3K11JAK2
SCHEMBL27697191 0.89 FYN (0.68) FYNMTORUSP1MAP3K11ATR
SCHEMBL4167630 0.89 FYN (0.68) FYNMTORUSP1MAP3K11ATR
SCHEMBL482134 0.86 FYN (0.63) FYNMTORUSP1MAP3K11JAK2
SCHEMBL482133 0.86 FYN (0.63) FYNMTORUSP1MAP3K11JAK2
SCHEMBL481550 0.83 FYN (0.60) FYNMTORUSP1MAP3K11ATR
SCHEMBL481683 0.83 FYN (0.60) FYNMTORUSP1MAP3K11JAK2
SCHEMBL481974 0.82 FYN (0.67) FYNMTORUSP1MAP3K11ATR
SCHEMBL975561 0.82 FYN (0.53) FYNMTORUSP1JAK2JAK3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (2 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA FYN 137/4885MTOR 138/4885USP1 2729/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 FYN 116/4885MTOR 73/4885USP1 2531/4885

“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.