SCHEMBL9715

SCHEMBL9715

COC(=O)/C=C(/C)c1cnc2ccc(-c3ccccc3C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
KDR P35968 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK14 Q16539 1/20 0.44
ABL1 P00519 3/20 0.41
BACE1 P56817 8/20 0.40
CTSD P07339 2/20 0.40
TRPA1 O75762 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
TSHR P16473 3/20 0.39
CYP2C19 P33261 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL8477 1.00 LCK (0.44) LCKKDRJAK3MAPK14ABL1
SCHEMBL14327933 0.81 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL13096310 0.81 KDM4E (0.58) KDRKDM4EKMT2ASMN1; SMN2CYP1A2
SCHEMBL9296 0.79 KDM4E (0.67) LCKKDRJAK3MAPK14ABL1
SCHEMBL9297 0.79 KDM4E (0.67) LCKKDRJAK3MAPK14ABL1
SCHEMBL9425 0.78 BACE1 (0.56) MAPK14ABL1BACE1CYP1A2CYP3A4
SCHEMBL9424 0.78 BACE1 (0.56) MAPK14ABL1BACE1CYP1A2CYP3A4
SCHEMBL9389 0.78 MALT1 (0.44) KDM4EKMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9388 0.78 MALT1 (0.44) KDM4EKMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL14003 0.78 MALT1 (0.44) KDM4EKMT2ASMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP LCK 3756/4885KDR 3883/4885JAK3 4620/4885

“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.