SCHEMBL21654549

SCHEMBL21654549

Brc1cccc(Cc2nnc(/C=C/c3cccc4cnccc34)o2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TERT O14746 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CDK8 P49336 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
SCHEMBL21654707 0.88 L3MBTL1 (0.47) PTK2ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL20030402 0.83 PTK2 (0.40) PTK2L3MBTL1HPGDTDP1TERT
SCHEMBL21654692 0.82 PTK2 (0.41) PTK2ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL21654821 0.80 PTK2 (0.44) PTK2ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL20030404 0.78 PTK2 (0.46) PTK2L3MBTL1KDM4EHPGDNPSR1
SCHEMBL21654804 0.78 PTK2 (0.41) PTK2L3MBTL1HPGDTERTHTT
SCHEMBL21628108 0.78 PTK2 (0.41) PTK2L3MBTL1HPGDNPSR1TERT
SCHEMBL21628113 0.78 PTK2 (0.41) PTK2L3MBTL1HPGDNPSR1TERT
SCHEMBL21654614 0.77 PTK2 (0.42) PTK2L3MBTL1HPGDHTTCHEK1
SCHEMBL21654651 0.77 HPGD (0.49) PTK2ALDH1A1L3MBTL1KDM4EGAA

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 4377/4885ALDH1A1 980/4885L3MBTL1 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 4380/4885ALDH1A1 839/4885L3MBTL1 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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