SCHEMBL21989036

SCHEMBL21989036

COc1ccc(COCC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.52
▸ AGXT P21549 2/20 0.52
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ APP P05067 7/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAOB P27338 2/20 0.44
▸ NAAA Q02083 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CALM1 P0DP23 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL34413 0.81 IDO1 (0.67) IDO1AGXTCA1CA2APP
SCHEMBL3803477 0.81 IDO1 (0.52) IDO1AGXTCA1CA2APP
SCHEMBL25621739 0.80 CYP2A6 (0.48) ALDH1A1TAAR1
SCHEMBL13232449 0.80 AGXT (0.48) IDO1AGXTCA1CA2L3MBTL1
SCHEMBL20213990 0.79 IDO1 (0.50) IDO1AGXTCA1CA2APP
Potassium SCHEMBL1477050 0.79 IDO1 (0.64) IDO1AGXTCA1CA2APP
Hydrochloric Acid SCHEMBL28912134 0.79 IDO1 (0.68) IDO1AGXTCA1CA2APP
Methoxymethane SCHEMBL28823290 0.79 IDO1 (0.64) IDO1AGXTCA1CA2APP
Bromide SCHEMBL28558295 0.79 IDO1 (0.64) IDO1AGXTCA1CA2APP
SCHEMBL1475481 0.79 IDO1 (0.64) IDO1AGXTCA1CA2APP

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12103921-B2 Chemical compounds PFIZER INC. (US) 2024-10-01 — — US disclosed
CN-118525020-A Compound with CLK and DYRK inhibiting activity, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-08-20 — — CN disclosed
CN-116370650-B Tetrazine linker-based polypeptide drug conjugate and preparation method and application thereof 四川大学华西医院 2024-03-22 — — CN disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 — — US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 — — US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 — — US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 — — US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 — — US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 — — US disclosed
CN-116370650-A Tetrazine linker-based polypeptide drug conjugate and preparation method and application thereof 四川大学华西医院 2023-07-04 — — CN disclosed
WO-2023103898-A1 COMPOUND HAVING CLK AND DYRK INHIBITORY ACTIVITIES, PREPARATION METHOD THEREFOR AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2023-06-15 — — WO disclosed
WO-2023103898-A1 COMPOUND HAVING CLK AND DYRK INHIBITORY ACTIVITIES, PREPARATION METHOD THEREFOR AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2023-06-15 — — WO disclosed
US-20220348555-A1 Chemical Compounds PFIZER INC. (US) 2022-11-03 — — US disclosed
EP-3886984-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN Pfizer Inc. (US) 2021-10-06 — — EP disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 — — US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 — — US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 — — US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 — — US disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 — — WO disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 — — 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 (6 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L IDO1 2827/4885AGXT 1822/4885CA1 4866/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L IDO1 2827/4885AGXT 1822/4885CA1 4866/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L IDO1 2827/4885AGXT 1822/4885CA1 4866/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L IDO1 2827/4885AGXT 1822/4885CA1 4866/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L IDO1 2827/4885AGXT 1822/4885CA1 4866/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L IDO1 2827/4885AGXT 1822/4885CA1 4866/4885

“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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