SCHEMBL22208298

SCHEMBL22208298

COc1nc(-c2ncccn2)cc(-c2ccc(F)cc2)c1C#N

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 16/20 0.82
▸ KDM4E B2RXH2 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL29442419 0.90 SQOR (1.00) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL29442386 0.90 SQOR (1.00) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208329 0.90 SQOR (1.00) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22215864 0.87 SQOR (1.00) SQORKDM4ENPSR1ADORA2AADORA1
SCHEMBL22208220 0.85 SQOR (0.81) SQORKDM4ENPSR1MEN1CYP1A2
SCHEMBL29442396 0.85 SQOR (0.81) SQORKDM4ENPSR1MEN1CYP1A2
SCHEMBL29442336 0.85 SQOR (0.81) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208276 0.85 SQOR (0.81) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL29442377 0.85 SQOR (0.81) SQORKDM4ENPSR1MEN1CYP1A2
SCHEMBL22208456 0.85 SQOR (0.81) SQORKDM4ENPSR1ADORA2AADORA1

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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — US 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 1/4885KDM4E 316/4885NPSR1 525/4885

“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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