SCHEMBL774832

SCHEMBL774832

N#Cc1ccc2[nH]ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
NOS1 P29475 4/20 0.53
ROCK2 O75116 3/20 0.53
MAPT P10636 2/20 0.53
METAP2 P50579 2/20 0.53
CSNK2A1 P68400 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
ROCK1 Q13464 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
IMPDH2 P12268 1/20 0.52
IMPDH1 P20839 1/20 0.52
CLK1 P49759 2/20 0.49
GSK3B P49841 2/20 0.49

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
SCHEMBL29740998 1.00 TRPA1 (0.54) TRPA1NOS1ROCK2MAPTMETAP2
Hydrochloric Acid SCHEMBL5419653 0.98 TRPA1 (0.53) TRPA1NOS1ROCK2MAPTMETAP2
SCHEMBL578190 0.85 NOS1 (0.53) NOS1MAPTMETAP2KDM4EMEN1
SCHEMBL29941668 0.85 NOS1 (0.53) NOS1MAPTMETAP2KDM4EMEN1
SCHEMBL5801247 0.84 NOS1 (0.46) TRPA1NOS1ROCK2MAPTMETAP2
Hydrochloric Acid SCHEMBL20919850 0.83 NOS1 (0.52) TRPA1NOS1MAPTMETAP2KDM4E
SCHEMBL3683853 0.81 METAP2 (0.46) TRPA1METAP2IMPDH2IMPDH1IDO1
SCHEMBL1413255 0.81 ROCK2 (0.53) TRPA1NOS1ROCK2MAPTMETAP2
SCHEMBL1519704 0.81 ROCK2 (0.53) TRPA1NOS1ROCK2MAPTMETAP2
Ammonia Solution, Strong SCHEMBL3552635 0.80 PGR (0.49) TRPA1ROCK2MAOBMAOAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565497-B2 Sulfone derivatives HOFFMANN-LA ROCHE INC. (US) 2026-03-03 US claimed
EP-3924340-B1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2025-01-29 EP claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP claimed
US-20230219953-A1 SULFONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-13 US claimed
CN-115916756-A Sulfone derivative 豪夫迈·罗氏有限公司 2023-04-04 CN claimed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO claimed
WO-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO claimed
US-12565497-B2 Sulfone derivatives HOFFMANN-LA ROCHE INC. (US) 2026-03-03 US disclosed
US-20250214942-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-07-03 US disclosed
US-12286406-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-04-29 US disclosed
US-20250059205-A1 Heterocyclic Compounds and Methods of Use AMGEN INC. (US) 2025-02-20 US disclosed
US-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 US disclosed
CN-115605463-B Inhibitors of receptor-interacting protein kinase I for the treatment of diseases 德州大学系统董事会 2024-08-09 CN disclosed
US-4897340-A RAPIDLY AUTOMATIC PROCESSABLE FILMS HAVING A HYDROPHILIC COLLOIDAL PROTECTIVE LAYER AND A LAYER CONTAINING CORE/SHELL OR TUBULAR GRAINS OF SILVER HALIDE; X-RAY FILMS; WEAR RESISTANCE; ANTISOILANTS KONICA CORPORATION (JP) 1990-01-30 US disclosed
EP-0316864-A2 Silver halide photographic light-sensitive material and processing method KONICA CORPORATION (JP) 1989-05-24 EP disclosed
EP-0238271-A2 Silver halide photographic material and method of processing the same KONICA CORPORATION (JP) 1987-09-23 EP disclosed
EP-0060118-B1 STABLE PHOTOGRAPHIC DEVELOPING SOLUTION CONTAINING AN INDAZOLE ANTIFOGGANT AND A LIGNOSULFONATE EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-02-13 EP disclosed
US-4435500-A AN IMIDAZOLE SOLVENT AND ANTI-FOGGING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1984-03-06 US disclosed
EP-0060118-A1 Stable photographic developing solution containing an indazole antifoggant and a lignosulfonate EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-09-15 EP disclosed
US-4323642-A Stable photographic developers containing an indazole antifoggant and a lignosulfonate EASTMAN KODAK COMPANY (US) 1982-04-06 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 (6 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-20250214942-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 TRPA1 3767/4885NOS1 3272/4885ROCK2 640/4885
US-20230219953-A1 SULFONE DERIVATIVES SULT1E1, SULT1A1, SULT2A1 TRPA1 1079/4885NOS1 1414/4885ROCK2 2582/4885
US-12286406-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 TRPA1 3767/4885NOS1 3272/4885ROCK2 640/4885
US-20250059205-A1 Heterocyclic Compounds and Methods of Use KRAS, NRAS, HRAS TRPA1 4620/4885NOS1 4766/4885ROCK2 274/4885
US-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 TRPA1 4768/4885NOS1 3872/4885ROCK2 852/4885
US-12565497-B2 Sulfone derivatives CXCR1, CCR1, SULT1E1 TRPA1 2310/4885NOS1 2208/4885ROCK2 3421/4885

“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.