Sugi Predict

Sugi Predict / Compounds / SCHEMBL20030403

SCHEMBL20030403

SCHEMBL20030403

CCc1ccccc1/C=C/c1nnc(Cc2cccc(Br)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.44
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ METAP2 P50579 2/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL20030404 0.84 PTK2 (0.46) PTK2RAB9ANPC1L3MBTL1HDAC1
SCHEMBL21654802 0.83 PTK2 (0.43) PTK2RAB9ANPC1MAPTLMNA
SCHEMBL21654602 0.83 PTK2 (0.43) PTK2RAB9ANPC1L3MBTL1METAP2
SCHEMBL21654780 0.83 PTK2 (0.43) PTK2RAB9ANPC1L3MBTL1METAP2
SCHEMBL21654707 0.83 L3MBTL1 (0.47) PTK2RAB9ANPC1L3MBTL1HDAC1
SCHEMBL21654605 0.82 PTK2 (0.43) PTK2RAB9ANPC1L3MBTL1HDAC6
SCHEMBL21628108 0.81 PTK2 (0.41) PTK2RAB9ANPC1L3MBTL1METAP2
SCHEMBL21628113 0.81 PTK2 (0.41) PTK2RAB9ANPC1L3MBTL1METAP2
SCHEMBL21654712 0.81 PTK2 (0.43) PTK2RAB9ANPC1L3MBTL1METAP2
SCHEMBL21654614 0.81 PTK2 (0.42) PTK2RAB9ANPC1L3MBTL1METAP2

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 4377/4885RAB9A 236/4885NPC1 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 4380/4885RAB9A 346/4885NPC1 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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