SCHEMBL19792367

SCHEMBL19792367

Brc1ccc2cc(Cc3ccccc3)ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
HTR2B P41595 1/20 0.43
MAOB P27338 1/20 0.39
ABL1 P00519 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
LTA4H P09960 1/20 0.36
AOC3 Q16853 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 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
SCHEMBL3121339 0.83 HTR2B (0.50) CYP2A6HTR2BCYP11B1CYP11B2LTA4H
SCHEMBL19792374 0.81 MEN1 (0.37) CYP2A6MAOBABL1CYP11B1CYP11B2
SCHEMBL30718639 0.76 ABL1 (0.44) CYP2A6ABL1CYP11B1CYP11B2L3MBTL1
SCHEMBL2226466 0.76 ABL1 (0.44) CYP2A6ABL1CYP11B1CYP11B2L3MBTL1
SCHEMBL10272932 0.76 CYP2A6 (0.42) CYP2A6ABL1CYP11B1CYP11B2L3MBTL1
SCHEMBL17663847 0.75 GBA1 (0.45) HTR2BLTA4HAOC3L3MBTL1ALDH1A1
SCHEMBL13136434 0.75 BACE1 (0.47) CYP2A6CCNCCDK8HTTSMN1; SMN2
SCHEMBL1641540 0.73 ABL1 (0.42) CYP2A6ABL1CYP11B1CYP11B2L3MBTL1
SCHEMBL19792321 0.73 HTR2B (0.40) HTR2BLTA4HAOC3L3MBTL1SMN1; SMN2
SCHEMBL2226121 0.72 ABL1 (0.41) CYP2A6ABL1CYP11B1CYP11B2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241573-A1 ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
EP-3487503-A1 ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-05-29 EP disclosed
CN-109789135-A ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS 葛兰素史密斯克莱知识产权发展有限公司 2019-05-21 CN disclosed
WO-2018015879-A1 ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-25 WO disclosed
WO-2018015879-A1 ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-25 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-20190241573-A1 ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS PSEN1, CPT1A, IRS1 CYP2A6 3518/4885HTR2B 2182/4885MAOB 3006/4885

“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.