SCHEMBL21634865

SCHEMBL21634865

NCc1ccc(I)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.37
PNMT P11086 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL13527773 0.84 LOXL2 (0.48) LOXL2PNMTTAAR1
SCHEMBL13977269 0.81 TAAR1 (0.46) LOXL2PNMTTAAR1
SCHEMBL20517289 0.80 PNMT (0.43) LOXL2PNMTTAAR1
SCHEMBL29533573 0.80 PNMT (0.43) LOXL2PNMTTAAR1
Hydrochloric Acid SCHEMBL23304100 0.79 PNMT (0.42) LOXL2PNMTTAAR1
SCHEMBL9723219 0.78 GABRA1 (0.32)
SCHEMBL5329344 0.78
SCHEMBL1425995 0.76 NOTUM (0.31)
SCHEMBL29559941 0.76 NOTUM (0.31)
SCHEMBL626761 0.75 LOXL2 (0.41) LOXL2PNMTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826722-B1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 US disclosed
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2021-08-19 US disclosed
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2021-08-19 US disclosed
EP-3826722-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-06-02 EP disclosed
WO-2020023560-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG 2020-01-30 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 (2 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-12378249-B2 Isoquinoline compounds and uses thereof HIPK1, HPGDS, IP6K1 LOXL2 2436/4885PNMT 2412/4885TAAR1 4597/4885
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HIPK1, HPGDS, IP6K1 LOXL2 2436/4885PNMT 2412/4885TAAR1 4597/4885

“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.