SCHEMBL319987

SCHEMBL319987

COC(=O)[C@H](Br)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
MEN1 O00255 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.44
SLC6A3 Q01959 4/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
DHFR P00374 1/20 0.43

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
SCHEMBL68152 1.00 KMT2A (0.64) KMT2ACES2CES1MEN1PTGS1
SCHEMBL318731 1.00 KMT2A (0.64) KMT2ACES2CES1MEN1PTGS1
SCHEMBL1428029 0.89 KMT2A (0.52) KMT2ACES2CES1PTGS2ALDH1A1
SCHEMBL1565875 0.86 MAPK1 (0.51) KMT2ACES2CES1PTGS1ALDH1A1
SCHEMBL13522785 0.84 KMT2A (0.51) KMT2ACES2CES1MEN1PTGS1
SCHEMBL9000507 0.82 PTGS1 (0.59) KMT2AMEN1PTGS1PTGS2
SCHEMBL8881032 0.82 ESR1 (0.54) KMT2APTGS1ALDH1A1LMNASLC6A3
SCHEMBL4776154 0.82 L3MBTL1 (0.45) KMT2AALDH1A1LMNA
SCHEMBL1564938 0.82 CYP1A2 (0.50) KMT2AMEN1ALDH1A1LMNA
SCHEMBL4013605 0.82 L3MBTL1 (0.46) KMT2AMEN1ALDH1A1LMNA

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-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
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
CN-103052636-B D 2antagonist and synthetic method thereof and using method Altos Therapeutics, LLC (US) 2016-03-09 CN disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP disclosed
CN-103052636-A D2 antagonists, methods of synthesis and methods of use ALTOS THERAPEUTICS LLC 2013-04-17 CN disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 KMT2A 2446/4885CES2 848/4885CES1 1984/4885
US-11708354-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds EGFR, ERBB2, ERBB3 KMT2A 972/4885CES2 1607/4885CES1 3295/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 KMT2A 2446/4885CES2 848/4885CES1 1984/4885

“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.