SCHEMBL20299495

SCHEMBL20299495

COc1ccc(F)cc1C(Br)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
LDHA P00338 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.40
CTSA P10619 5/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL29874723 0.86 CYP2C19 (0.42) HTTLMNAMAPK1RAB9AFFAR1
SCHEMBL29449427 0.86 CYP2C19 (0.42) HTTLMNAMAPK1RAB9AFFAR1
SCHEMBL23362838 0.86 CYP2C19 (0.42) HTTLMNAMAPK1RAB9AFFAR1
SCHEMBL20817253 0.82 NPSR1 (0.47) HTTLMNAMAPK1RAB9APTGS1
SCHEMBL22457320 0.82 PTGS2 (0.60) HTTLMNAMAPK1RAB9APTGS1
SCHEMBL7468522 0.81 KMT2A (0.53) HTTLMNARAB9APTGS1PTGS2
SCHEMBL21724123 0.81 ACHE (0.44) HTTLMNAMAPK1RAB9APTGS1
SCHEMBL20577005 0.81 TTR (0.48) HTTLMNAMAPK1PTGS1PTGS2
Hydrochloric Acid SCHEMBL29072273 0.79 ACHE (0.43) HTTLMNAMAPK1RAB9APTGS1
SCHEMBL7466460 0.78 CES2 (0.50) CYP2C19PKMCA6CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110753691-B Compounds for therapeutic and/or prophylactic treatment of cancer 豪夫迈·罗氏有限公司 2024-02-02 CN disclosed
US-11708354-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
CN-110325528-B 2-benzopyrazinyl-N-heteroaryl-2-phenyl-acetamide compounds 豪夫迈·罗氏有限公司 2022-10-11 CN disclosed
EP-3558967-B1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-03-02 EP disclosed
US-11117890-B2 Substituted isoindole allosteric EGFR inhibitors HOFFMAN LA-ROCHE INC. (US) 2021-09-14 US disclosed
US-20210070739-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-03-11 US disclosed
US-10882848-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds HOFFMANN-LA ROCHE, INC. (US) 2021-01-05 US disclosed
EP-3630754-A1 COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-04-08 EP disclosed
US-20200102299-A1 COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-04-02 US disclosed
EP-3558967-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2019-10-30 EP disclosed
US-20190308955-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
WO-2018220149-A1 COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-06 WO disclosed
WO-2018115218-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-06-28 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 (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-11117890-B2 Substituted isoindole allosteric EGFR inhibitors EGFR, ERBB2, ERBB3 HTT 2694/4885LMNA 4878/4885MAPK1 513/4885
US-11708354-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds EGFR, ERBB2, ERBB3 HTT 1303/4885LMNA 4285/4885MAPK1 1096/4885
US-10882848-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds EGFR, ERBB2, ERBB3 HTT 1303/4885LMNA 4285/4885MAPK1 1096/4885
US-20210070739-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS EGFR, ERBB2, ERBB3 HTT 1303/4885LMNA 4285/4885MAPK1 1096/4885
US-20190308955-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS EGFR, ERBB2, ERBB3 HTT 1303/4885LMNA 4285/4885MAPK1 1096/4885
US-20200102299-A1 COMPOUNDS EGFR, ERBB2, ERBB3 HTT 2602/4885LMNA 1605/4885MAPK1 684/4885

“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.