SCHEMBL19792288

SCHEMBL19792288

COC(OC)C(C)NCc1cccc(Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ATM Q13315 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL29004397 0.84 TAAR1 (0.40) ATMLMNAL3MBTL1MEN1KMT2A
SCHEMBL22787583 0.77 HTR2A (0.36) HTR2AHTR2CATMLMNAL3MBTL1
SCHEMBL29129295 0.75 HTR2A (0.43) HTR2AHTR2CATMMEN1KMT2A
SCHEMBL29988047 0.75 HTR2A (0.43) HTR2AHTR2CATMMEN1KMT2A
SCHEMBL19233952 0.72 TAAR1 (0.46) HTR2AHTR2CATMALDH1A1KDM4E
SCHEMBL18425277 0.70 IDO1 (0.45) HTR2ACASRALDH1A1
SCHEMBL30133794 0.70 MEN1 (0.54) LMNACASRMEN1KMT2AALDH1A1
SCHEMBL12093169 0.69 ALDH1A1 (0.41) HTR2AHTR2CATMMEN1KMT2A
SCHEMBL30663885 0.69 ALDH1A1 (0.41) HTR2AHTR2CATMMEN1KMT2A
SCHEMBL12719097 0.69 ATM (0.36) HTR2AHTR2CATMLMNAMEN1

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-20190241573-A1 ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 — — US 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 HTR2A 3012/4885HTR2C 2972/4885ATM 458/4885

“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.

Send feedback