SCHEMBL657873

SCHEMBL657873

O=CNCc1ncccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
AXL P30530 1/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL4224354 0.79 ALDH1A1 (0.53) ADH1BADH1CADH1AADH7MAPT
SCHEMBL22326459 0.79 KDM1A (0.46) ADH1BADH1CADH1AADH7KDM4E
SCHEMBL4857487 0.79 ADH1B (0.41) ADH1BADH1CADH1AADH7HPGD
SCHEMBL4106646 0.77 TRIM24 (0.44) TRIM24TRIM33AXLMAPTHPGD
SCHEMBL21355203 0.76 SSTR4 (0.38) ADH1BADH1CADH1AADH7
SCHEMBL27950479 0.76 CYP2A6 (0.41) AXLMAPTRAB9AALDH1A1L3MBTL1
SCHEMBL27380812 0.74 CD274 (0.39) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL11702829 0.72 POLB (0.38) AXLMAPTRAB9AALDH1A1KDM4E
SCHEMBL26910352 0.72 NPSR1 (0.46) MAPTHPGDRAB9AL3MBTL1ADORA2A
SCHEMBL23280321 0.72 TGM2 (0.50) MAPTHPGDRAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-08-08 US disclosed
EP-4329749-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022232318-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US 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 (2 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 ADH1B 4305/4885ADH1C 1537/4885ADH1A 1991/4885
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS ADH1B 3392/4885ADH1C 2600/4885ADH1A 3094/4885

“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.