SCHEMBL25204558

SCHEMBL25204558

COc1nc(Br)cc2cn[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.44
▸ NOS1 P29475 3/20 0.38
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ METAP2 P50579 4/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ TRPA1 O75762 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CCR4 P51679 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22661958 0.79 NOS1 (0.38) AXLNOS1ADORA3ADORA1METAP2
SCHEMBL17099469 0.76 NOS1 (0.41) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL2433235 0.73 AXL (0.49) AXLNOS1ADORA3ADORA1METAP2
SCHEMBL31206793 0.72 NOS1 (0.41) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL27309205 0.72 NOS1 (0.41) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL14995475 0.71 AXL (0.51) AXLNOS1ADORA3ADORA1METAP2
SCHEMBL30502747 0.71 AXL (0.40) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL25343534 0.69 AXL (0.53) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL24032943 0.69 AXL (0.49) AXLNOS1ADORA3ADORA1METAP2
SCHEMBL35210765 0.69 NOS1 (0.36) AXLNOS1METAP2CSNK2A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042879-A1 HETEROCYCLIC SUBSTITUTED 1,3,4-THIADIAZOLE AND PYRIDAZINE COMPOUNDS AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. 2025-02-06 — — US disclosed
CN-118843625-A Heterocyclically substituted 1,3, 4-thiadiazole and pyridazine compounds and methods of use thereof 亚根达医疗公司 2024-10-25 — — CN disclosed
EP-4436665-A1 HETEROCYCLIC SUBSTITUTED 1,3,4-THIADIAZOLE AND PYRIDAZINE COMPOUNDS AND METHODS OF USING THE SAME Rgenta Therapeutics, Inc. (US) 2024-10-02 — — EP disclosed
WO-2023092149-A1 HETEROCYCLIC SUBSTITUTED 1,3,4-THIADIAZOLE AND PYRIDAZINE COMPOUNDS AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-25 — — 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 (1 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-20250042879-A1 HETEROCYCLIC SUBSTITUTED 1,3,4-THIADIAZOLE AND PYRIDAZINE COMPOUNDS AND METHODS OF USING THE SAME RBM17, SF3B5, SF3A2 AXL 2803/4885NOS1 1605/4885ADORA3 383/4885

“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.

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