SCHEMBL21223482

SCHEMBL21223482

Cc1cc(N)nc(Cl)c1I

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.38
NOS2 P35228 7/20 0.38
NOS1 P29475 6/20 0.38
BACE1 P56817 1/20 0.38
PRMT5 O14744 1/20 0.35
POLB P06746 1/20 0.33
CD44 P16070 1/20 0.33
CYP3A4 P08684 2/20 0.31
MPO P05164 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
SCHEMBL30915338 1.00 NOS3 (0.38) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL3637109 0.77 NOS3 (0.41) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL19028071 0.77 GAA (0.32) NOS3NOS2NOS1
SCHEMBL21287270 0.77 NOS3 (0.41) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL29344172 0.77 SMN1; SMN2 (0.50) POLB
SCHEMBL16093699 0.77 NOS2 (0.44) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL29975682 0.77 GAA (0.32) NOS3NOS2NOS1
SCHEMBL22029192 0.74 NOS3 (0.38) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL22029038 0.74 NOS2 (0.37) NOS3NOS2NOS1
SCHEMBL29344249 0.70 NOS2 (0.37) NOS3NOS2NOS1BACE1CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260083750-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC 2026-03-26 US disclosed
EP-4577214-A2 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-07-02 EP disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
WO-2024044667-A2 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-02-29 WO disclosed
WO-2024044667-A2 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-02-29 WO disclosed
CN-115151532-B Quinoxalindione derivatives as irreversible inhibitors of KRAS G12C muteins 北京泰德制药股份有限公司 2023-06-06 CN disclosed
CN-115151532-A Quinoxalinedione derivatives as irreversible inhibitors of KRAS G12C muteins 北京泰德制药股份有限公司 2022-10-04 CN disclosed
WO-2021219090-A1 QUINOXALINE DIONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN 北京泰德制药股份有限公司 (CN) 2021-11-04 WO disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 EP disclosed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 NOS3 725/4885NOS2 1125/4885NOS1 1834/4885
US-20260083750-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS KRAS, NRAS, RASGRP1 NOS3 3451/4885NOS2 3885/4885NOS1 2636/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS NOS3 4599/4885NOS2 4639/4885NOS1 4548/4885

“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.