SCHEMBL3871102

SCHEMBL3871102

Brc1cnc2c(c1)CNC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 5/20 0.34
ABHD6 Q9BV23 1/20 0.33
AURKA O14965 2/20 0.32
DAPK3 O43293 2/20 0.32
JAK2 O60674 2/20 0.32
MAP4K4 O95819 2/20 0.32
PAK4 O96013 2/20 0.32
ABL1 P00519 2/20 0.32
RET P07949 2/20 0.32
FGFR1 P11362 2/20 0.32
PDGFRA P16234 2/20 0.32
FLT1 P17948 2/20 0.32
LTK P29376 2/20 0.32
GRK5 P34947 2/20 0.32
KDR P35968 2/20 0.32
CSNK1A1 P48729 2/20 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
Hydrochloric Acid SCHEMBL21521915 0.98 PNMT (0.36) PNMTASIC3HTTKMT2ADYRK1A
SCHEMBL722943 0.82 PNMT (0.50) PNMTASIC3SMN1; SMN2
SCHEMBL29727983 0.82 PNMT (0.50) PNMTASIC3SMN1; SMN2
SCHEMBL21591692 0.82 PNMT (0.50) PNMTASIC3
SCHEMBL29762650 0.82 PNMT (0.50) PNMTASIC3
SCHEMBL6217721 0.82 AURKA (0.34) PNMTASIC3DYRK1AABHD6AURKA
Hydrochloric Acid SCHEMBL16935156 0.81 PNMT (0.49) PNMTASIC3SMN1; SMN2
Hydrochloric Acid SCHEMBL2262405 0.81 PNMT (0.49) PNMTASIC3SMN1; SMN2
Hydrochloric Acid SCHEMBL31184489 0.81 PNMT (0.49) PNMTASIC3SMN1; SMN2
Hydrochloric Acid SCHEMBL30331878 0.81 PNMT (0.49) PNMTASIC3SMN1; SMN2

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382308-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION AS (US) 2025-12-18 US disclosed
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
EP-4511119-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2025-02-26 EP disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
US-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS KIRA PHARMACEUTICALS (SUZHOU) LTD. (CN) 2024-02-08 US disclosed
WO-2023205251-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2023-10-26 WO disclosed
EP-3623369-B1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
CN-101119968-A Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE (CH) 2008-02-06 CN disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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 (5 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 PNMT 1672/4885ASIC3 1233/4885HTT 1734/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 PNMT 1672/4885ASIC3 1233/4885HTT 1734/4885
US-20250382308-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, EP300 PNMT 2099/4885ASIC3 4420/4885HTT 2295/4885
US-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS C5AR1, C5AR2, C3AR1 PNMT 3699/4885ASIC3 3497/4885HTT 4089/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 PNMT 1715/4885ASIC3 3183/4885HTT 3210/4885

“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.