SCHEMBL21654635

SCHEMBL21654635

Cc1ccc(Cc2nnc(/C=C/c3ccccc3C(C)C)o2)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.33
▸ 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
▸ PTK2 Q05397 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ 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
SCHEMBL20030575 0.92 METAP2 (0.33) ESR1METAP2HPGDTSHRMAPK1
SCHEMBL21654585 0.90 RAB9A (0.34) ESR1HPGDTSHRNPC1RAB9A
SCHEMBL21654536 0.86 METAP2 (0.33) ESR1METAP2HPGDTSHRMAPK1
SCHEMBL21654576 0.85 RAB9A (0.43) ESR1METAP2HPGDTSHRMAPK1
SCHEMBL20030388 0.85 NPC1 (0.31) ESR1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL21654780 0.85 PTK2 (0.43) ESR1METAP2HPGDTSHRNPC1
SCHEMBL21654517 0.84 ESR1 (0.34) ESR1METAP2HPGDTSHRNPC1
SCHEMBL21654700 0.83 RAB9A (0.42) ESR1HPGDTSHRNPC1RAB9A
SCHEMBL21654582 0.82 HPGD (0.34) ESR1HPGDTSHRMAPK1NPC1
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 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 ESR1 4858/4885METAP2 268/4885HPGD 4213/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 ESR1 4851/4885METAP2 270/4885HPGD 3730/4885

“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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