SCHEMBL22208282

SCHEMBL22208282

COc1nc(-c2ccncc2)cc(-c2ccc(F)cc2)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 13/20 1.00
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ GAA P10253 1/20 0.50

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
SCHEMBL29442272 1.00 SQOR (1.00) SQORADORA2AADORA1KDM4ENPSR1
SCHEMBL22215864 0.88 SQOR (1.00) SQORADORA2AADORA1KDM4ENPSR1
SCHEMBL29442333 0.88 SQOR (1.00) SQORKDM4ENPSR1MEN1CYP1A2
SCHEMBL22208364 0.88 SQOR (1.00) SQORKDM4ENPSR1MEN1CYP1A2
SCHEMBL22208221 0.87 SQOR (0.79) SQORADORA2AADORA1KDM4EMEN1
SCHEMBL22208234 0.86 SQOR (1.00) SQORADORA2AADORA1KDM4ENPSR1
SCHEMBL29442283 0.86 SQOR (1.00) SQORADORA2AADORA1KDM4ENPSR1
SCHEMBL29442329 0.85 SQOR (1.00) SQORKDM4ENPSR1RXFP1TDP1
SCHEMBL22208294 0.85 SQOR (1.00) SQORKDM4ENPSR1RXFP1TDP1
SCHEMBL22208298 0.83 SQOR (0.82) SQORADORA2AADORA1KDM4ENPSR1

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
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO claimed
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — US disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — 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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure SQOR, QSOX1, KEAP1 SQOR 1/4885ADORA2A 2429/4885ADORA1 1478/4885

“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.

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