SCHEMBL20030575

SCHEMBL20030575

Cc1cc(Cc2nnc(/C=C/c3ccccc3C(C)C)o2)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21654635 0.92 ESR1 (0.33) METAP2HPGDTSHRMAPK1NPC1
SCHEMBL21654585 0.90 RAB9A (0.34) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL21654536 0.88 METAP2 (0.33) METAP2HPGDTSHRMAPK1ESR1
SCHEMBL21654576 0.85 RAB9A (0.43) METAP2HPGDTSHRMAPK1NPC1
SCHEMBL21654780 0.85 PTK2 (0.43) METAP2HPGDTSHRNPC1RAB9A
SCHEMBL21654517 0.84 ESR1 (0.34) METAP2HPGDTSHRNPC1RAB9A
SCHEMBL20030388 0.83 NPC1 (0.31) HPGDNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL21654700 0.83 RAB9A (0.42) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL21654582 0.82 HPGD (0.34) HPGDTSHRMAPK1NPC1RAB9A
SCHEMBL21654782 0.81 KMT2A (0.43) HPGDTSHRNPC1RAB9ASMN1; 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 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 METAP2 268/4885HPGD 4213/4885TSHR 3439/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 METAP2 270/4885HPGD 3730/4885TSHR 3622/4885

“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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