SCHEMBL21654821

SCHEMBL21654821

Brc1cccc(Cc2nnc(/C=C/c3cccc4ncccc34)o2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.44
▸ MAPT P10636 5/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ METAP2 P50579 1/20 0.34
▸ EGFR P00533 3/20 0.34
▸ APAF1 O14727 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MET P08581 1/20 0.33
▸ GAA P10253 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
SCHEMBL21628108 0.85 PTK2 (0.41) PTK2L3MBTL1HPGDMEN1KMT2A
SCHEMBL21654804 0.85 PTK2 (0.41) PTK2L3MBTL1HPGDMEN1KMT2A
SCHEMBL21654692 0.85 PTK2 (0.41) PTK2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL21628113 0.85 PTK2 (0.41) PTK2L3MBTL1HPGDMEN1KMT2A
SCHEMBL21654707 0.84 L3MBTL1 (0.47) PTK2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL21654615 0.82 PTK2 (0.45) PTK2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL21654549 0.80 PTK2 (0.39) PTK2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL20030404 0.79 PTK2 (0.46) PTK2L3MBTL1HPGDKDM4EMETAP2
SCHEMBL21654614 0.78 PTK2 (0.42) PTK2L3MBTL1HPGDMETAP2HTT
SCHEMBL21654593 0.77 PTK2 (0.45) PTK2MAPTL3MBTL1HPGDMEN1

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 PTK2 4377/4885MAPT 3619/4885L3MBTL1 1713/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885MAPT 3439/4885L3MBTL1 1564/4885

“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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