Sugi Predict

Sugi Predict / Compounds / SCHEMBL20030404

SCHEMBL20030404

SCHEMBL20030404

Oc1ccccc1/C=C/c1nnc(Cc2cccc(Br)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.46
▸ AR P10275 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ METAP2 P50579 2/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ APP P05067 1/20 0.33
▸ ALPL P05186 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
SCHEMBL21654654 0.86 RAB9A (0.46) PTK2ARNPC1RAB9AL3MBTL1
SCHEMBL21654707 0.85 L3MBTL1 (0.47) PTK2NPC1RAB9AL3MBTL1HDAC4
SCHEMBL21654605 0.84 PTK2 (0.43) PTK2NPC1RAB9AL3MBTL1HCAR2
SCHEMBL20030403 0.84 PTK2 (0.44) PTK2NPC1RAB9AL3MBTL1HDAC4
SCHEMBL21654802 0.83 PTK2 (0.43) PTK2ARNPC1RAB9ATRPA1
SCHEMBL21654780 0.83 PTK2 (0.43) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654602 0.83 PTK2 (0.43) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654712 0.83 PTK2 (0.43) PTK2ARNPC1RAB9AL3MBTL1
SCHEMBL21654614 0.82 PTK2 (0.42) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654711 0.82 PTK2 (0.45) PTK2NPC1RAB9AL3MBTL1HDAC4

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 4377/4885AR 2616/4885NPC1 295/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885AR 1985/4885NPC1 221/4885

“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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