SCHEMBL29509974

SCHEMBL29509974

Brc1ccc2[nH]ncc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.48
▸ METAP2 P50579 2/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ DYRK1A Q13627 4/20 0.44
▸ IDO1 P14902 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ AXL P30530 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL503223 1.00 NOS1 (0.48) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL10806951 0.74 NOS1 (0.48) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL8296672 0.74 RAB9A (0.41) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL21951135 0.74 NOS1 (0.48) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL31414356 0.74 HSP90AA1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL460550 0.74 HSP90AA1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL1495350 0.74 KDM4E (0.48) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL22941283 0.74 HSP90AA1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL16253340 0.74 NOS1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL30587598 0.74 NOS1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 — — WO disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
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
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — 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
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 — — CN disclosed
EP-4221702-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 — — 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
WO-2022072512-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 — — 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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 NOS1 2058/4885METAP2 1511/4885CSNK2A1 2861/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 NOS1 1490/4885METAP2 4286/4885CSNK2A1 2953/4885
US-20250042879-A1 HETEROCYCLIC SUBSTITUTED 1,3,4-THIADIAZOLE AND PYRIDAZINE COMPOUNDS AND METHODS OF USING THE SAME RBM17, SF3B5, SF3A2 NOS1 1605/4885METAP2 3051/4885CSNK2A1 931/4885

“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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