SCHEMBL482193

SCHEMBL482193

COC1CCC(n2c(=O)[nH]c3ncc(Br)nc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.49
MTOR P42345 4/20 0.45
PIK3CA P42336 3/20 0.42
PRKDC P78527 1/20 0.39
JAK1 P23458 4/20 0.39
JAK2 O60674 4/20 0.38
JAK3 P52333 4/20 0.38
EEF2K O00418 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNKS O95271 1/20 0.35

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
SCHEMBL482194 1.00 MAP3K11 (0.49) MAP3K11MTORPIK3CAPRKDCJAK1
SCHEMBL976654 0.90 MAP3K11 (0.53) MAP3K11MTORJAK1JAK2JAK3
SCHEMBL4509072 0.88 MAP3K11 (0.47) MAP3K11MTORPIK3CAJAK1JAK2
SCHEMBL481717 0.84 MAP3K11 (0.51) MAP3K11MTORPIK3CAPRKDCJAK1
SCHEMBL481716 0.84 MAP3K11 (0.51) MAP3K11MTORPIK3CAPRKDCJAK1
SCHEMBL977455 0.83 MTOR (0.61) MAP3K11MTORJAK1JAK2JAK3
SCHEMBL977646 0.81 MTOR (0.63) MAP3K11MTORJAK1JAK2JAK3
SCHEMBL481709 0.80 MAP3K11 (0.56) MAP3K11MTORPIK3CA
SCHEMBL481710 0.80 MAP3K11 (0.56) MAP3K11MTORPIK3CA
SCHEMBL481861 0.80 MTOR (0.67) MAP3K11MTORPIK3CAJAK1JAK2

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 9 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
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 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 (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 MAP3K11 44/4885MTOR 138/4885PIK3CA 590/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MAP3K11 39/4885MTOR 73/4885PIK3CA 221/4885

“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.