SCHEMBL20030402

SCHEMBL20030402

Cc1cnccc1/C=C/c1nnc(Cc2cccc(Br)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.40
▸ TERT O14746 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ METAP2 P50579 1/20 0.31

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
SCHEMBL21654650 0.84 PTK2 (0.44) PTK2POLBNPC1RAB9AL3MBTL1
SCHEMBL21654549 0.83 PTK2 (0.39) PTK2TERTHTTNPC1RAB9A
SCHEMBL21654590 0.83 PTK2 (0.43) PTK2POLBNPC1RAB9AL3MBTL1
SCHEMBL21628113 0.81 PTK2 (0.41) PTK2TERTHTTNPC1RAB9A
SCHEMBL21628108 0.81 PTK2 (0.41) PTK2TERTHTTNPC1RAB9A
SCHEMBL21654648 0.81 PTK2 (0.41) PTK2HTTPOLBNPC1RAB9A
SCHEMBL21654646 0.79 PTK2 (0.46) PTK2POLBNPC1RAB9AL3MBTL1
SCHEMBL20030403 0.78 PTK2 (0.44) PTK2NPC1RAB9AL3MBTL1TDP1
SCHEMBL20030404 0.77 PTK2 (0.46) PTK2NPC1RAB9AL3MBTL1HPGD
SCHEMBL21654714 0.77 PTK2 (0.43) PTK2POLBNPC1RAB9AL3MBTL1

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 3 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
WO-2018062978-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 재단법인 한국파스퇴르연구소 2018-04-05 — — 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 (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 4377/4885TERT 3557/4885HTT 1310/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885TERT 3237/4885HTT 902/4885

“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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