SCHEMBL10079568

SCHEMBL10079568

C#Cc1cccc(Br)c1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
PYCR1 P32322 1/20 0.32
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
MAPK1 P28482 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
SCHEMBL15943787 0.79
SCHEMBL29837058 0.77 TSHR (0.48) ALDH1A1EGFRERBB2
SCHEMBL1232348 0.77 TSHR (0.48) ALDH1A1EGFRERBB2
SCHEMBL16952279 0.77 ALDH1A1 (0.37) ALDH1A1MAPK1
SCHEMBL2048825 0.77 CYP3A4 (0.40) ALDH1A1MAPK1
SCHEMBL29661932 0.76 DYRK1A (0.31)
SCHEMBL5974541 0.76 TRPA1 (0.42) ALDH1A1
SCHEMBL22288139 0.76 DYRK1A (0.31)
SCHEMBL20912027 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL31041757 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
WO-2021047547-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 上海长森药业有限公司 2021-03-18 WO disclosed
WO-2021047553-A1 AROMATIC HETEROCYCLIC COMPOUND HAVING TRICYCLIC STRUCTURE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海长森药业有限公司 2021-03-18 WO disclosed
EP-3612525-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2020-02-26 EP disclosed
WO-2018195321-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2018-10-25 WO disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 US disclosed
WO-2017182495-A1 INDAZOLE DERIVATIVES THAT DOWN-REGULATE THE ESTROGEN RECEPTOR AND POSSESS ANTI-CANCER ACTIVITY ASTRAZENECA AB (SE) 2017-10-26 WO disclosed
WO-2012084678-A1 NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-06-28 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 (3 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 ALDH1A1 104/4885PYCR1 1834/4885EGFR 310/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 ALDH1A1 409/4885PYCR1 2407/4885EGFR 65/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 ALDH1A1 104/4885PYCR1 1834/4885EGFR 310/4885

“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.