SCHEMBL20299508

SCHEMBL20299508

NC(=O)C(c1ccccc1)n1ncc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.46
ADA P00813 1/20 0.44
KMO O15229 2/20 0.43
ELANE P08246 1/20 0.39
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TFPI2 P48307 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ASAH1 Q13510 1/20 0.36
P2RX7 Q99572 1/20 0.35
EPHX1 P07099 1/20 0.35
PLK1 P53350 1/20 0.34

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
SCHEMBL18270599 0.76 RECQL (0.42) HDAC8KMOELANERECQLMEN1
SCHEMBL17188069 0.75 P2RX7 (0.47) HDAC8KMOELANERECQLMEN1
Oxalic Acid SCHEMBL14810479 0.73 KMO (0.46) HDAC8KMOELANERECQLMEN1
SCHEMBL4553548 0.73 KMT2A (0.50) HDAC8KMOELANERECQLMEN1
SCHEMBL30066427 0.73 KMT2A (0.50) HDAC8KMOELANERECQLMEN1
SCHEMBL8725006 0.73 KMO (0.43) HDAC8KMOELANERECQLMEN1
SCHEMBL30918021 0.72 MEN1 (0.44) KMOELANERECQLMEN1NPC1
SCHEMBL18268988 0.72 MEN1 (0.44) KMOELANERECQLMEN1NPC1
SCHEMBL31326725 0.72 KMO (0.42) HDAC8KMOELANERECQLMEN1
SCHEMBL18135255 0.72 KMO (0.42) HDAC8KMOELANERECQLMEN1

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 9 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
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-3558967-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2019-10-30 EP disclosed
CN-110325528-A 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS 豪夫迈·罗氏有限公司 2019-10-11 CN disclosed
US-20190308955-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US 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 (4 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-11708354-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds EGFR, ERBB2, ERBB3 HDAC8 1109/4885ADA 2089/4885KMO 4236/4885
US-10882848-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds EGFR, ERBB2, ERBB3 HDAC8 1109/4885ADA 2089/4885KMO 4236/4885
US-20210070739-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS EGFR, ERBB2, ERBB3 HDAC8 1109/4885ADA 2089/4885KMO 4236/4885
US-20190308955-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS EGFR, ERBB2, ERBB3 HDAC8 1109/4885ADA 2089/4885KMO 4236/4885

“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.