SCHEMBL21654605

SCHEMBL21654605

O=C(O)c1ccccc1/C=C/c1nnc(Cc2cccc(Br)c2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.43
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HCAR2 Q8TDS4 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GRIK1 P39086 1/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA3 P42263 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ GRIK2 Q13002 1/20 0.37
▸ GRIK3 Q13003 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 2/20 0.36

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
SCHEMBL21654542 0.88 PTK2 (0.40) PTK2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL20030404 0.84 PTK2 (0.46) PTK2RAB9ANPC1L3MBTL1HCAR2
SCHEMBL20030403 0.82 PTK2 (0.44) PTK2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL21654707 0.81 L3MBTL1 (0.47) PTK2RAB9ANPC1L3MBTL1HPGD
SCHEMBL21654602 0.79 PTK2 (0.43) PTK2RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL21654712 0.79 PTK2 (0.43) PTK2RAB9ANPC1KMT2AL3MBTL1
SCHEMBL21654780 0.79 PTK2 (0.43) PTK2RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL21654802 0.79 PTK2 (0.43) PTK2RAB9ANPC1SMN1; SMN2POLB
SCHEMBL21654614 0.79 PTK2 (0.42) PTK2RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL21654711 0.78 PTK2 (0.45) PTK2RAB9ANPC1L3MBTL1SMN1; SMN2

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 4377/4885RAB9A 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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