SCHEMBL17653265

SCHEMBL17653265

CCc1nc(C(CC(C)C)NC(=O)O)nc2ccc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HIF1A Q16665 2/20 0.33
EGFR P00533 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
LIPG Q9Y5X9 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL17663493 0.86 AAK1 (0.47) AAK1
SCHEMBL17653328 0.84 AAK1 (0.43) AAK1IDO1TDO2PRMT5WDR77
SCHEMBL19328195 0.77 AAK1 (0.48) AAK1
SCHEMBL17653402 0.72 AAK1 (0.51) AAK1GSK3AGSK3B
SCHEMBL20944461 0.69 PRMT5 (0.43) PRMT5WDR77GSK3AGSK3BHIF1A
SCHEMBL31080552 0.69 SMN1; SMN2 (0.42) IDO1TDO2
SCHEMBL19253019 0.67 AAK1 (0.70) AAK1
SCHEMBL26043142 0.67 EGFR (0.52) IDO1TDO2PRMT5WDR77GSK3A
SCHEMBL15092429 0.67 MEN1 (0.48) LIPG
SCHEMBL17206042 0.67 POLB (0.41) IDO1TDO2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
EP-3200797-A1 QUINAZOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-09 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 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 (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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS AAK1, ULK1, NCK1 AAK1 1/4885IDO1 4159/4885TDO2 3632/4885

“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.