SCHEMBL2533296

SCHEMBL2533296

O=c1[nH]c2ncc(-c3cccc4ncccc34)nc2n1C1CCC(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.46
MTOR P42345 7/20 0.45
TNKS O95271 2/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
P2RX7 Q99572 1/20 0.38
CNR2 P34972 1/20 0.37
FASN P49327 2/20 0.36
PIK3CA P42336 1/20 0.35
GSK3A P49840 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 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
SCHEMBL2533295 1.00 MAP3K11 (0.46) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL481894 0.93 MAP3K11 (0.47) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL481895 0.93 MAP3K11 (0.47) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL481653 0.88 MAP3K11 (0.49) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL481651 0.88 MAP3K11 (0.49) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL2360980 0.87 MAP3K11 (0.57) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL2533291 0.86 MAP3K11 (0.46) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL2359028 0.84 MTOR (0.59) MAP3K11MTORJAK2JAK1JAK3
SCHEMBL481495 0.80 MTOR (0.46) MAP3K11MTORCNR2JAK2JAK1
SCHEMBL2504653 0.79 MTOR (0.48) MTORPIK3CAGSK3A

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-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MAP3K11 44/4885MTOR 138/4885TNKS 358/4885

“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.