SCHEMBL21654707

SCHEMBL21654707

Brc1cccc(Cc2nnc(/C=C/c3cccc4ccccc34)o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PTK2 Q05397 2/20 0.45
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC4 P56524 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ METAP2 P50579 2/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ APP P05067 1/20 0.33
▸ CHAT P28329 1/20 0.33

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
SCHEMBL21654651 0.88 HPGD (0.49) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL21654549 0.88 PTK2 (0.39) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL21654615 0.85 PTK2 (0.45) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL20030404 0.85 PTK2 (0.46) L3MBTL1KDM4EHPGDNPSR1PTK2
SCHEMBL21654821 0.84 PTK2 (0.44) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL21654692 0.84 PTK2 (0.41) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL20030403 0.83 PTK2 (0.44) L3MBTL1MAPTHPGDNPSR1TDP1
SCHEMBL21654602 0.82 PTK2 (0.43) L3MBTL1MAPTHPGDNPSR1PTK2
SCHEMBL21654802 0.82 PTK2 (0.43) GAAMAPTHPGDNPSR1PTK2
SCHEMBL21654712 0.82 PTK2 (0.43) L3MBTL1MAPTTDP1PTK2NPC1

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-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 — — US disclosed
US-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ST PHARM CO., LTD. (KR) 2020-01-30 — — US 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-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ZC3HAV1, ZC3HAV1L, HAVCR2 L3MBTL1 1713/4885KDM4E 3325/4885ALDH1A1 980/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 L3MBTL1 1564/4885KDM4E 3277/4885ALDH1A1 839/4885

“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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