SCHEMBL161475

SCHEMBL161475

CC(C)c1cc(C(C)C)c(-c2ccc(C3CCCCC3)c(C3CCCCC3)c2P)c(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL26981251 0.86 ROCK2 (0.46) ROCK2
SCHEMBL29470914 0.84 ROCK2 (0.47) ROCK2HSP90AA1HSP90AB1
SCHEMBL1013646 0.84 ROCK2 (0.47) ROCK2HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL28192456 0.84 ROCK2 (0.35) ROCK2
SCHEMBL26683536 0.84 ROCK2 (0.37) ROCK2
SCHEMBL28152688 0.81 ROCK2 (0.38) ROCK2
SCHEMBL21044754 0.81 ROCK2 (0.43) ROCK2
SCHEMBL28005452 0.80 ROCK2 (0.39) ROCK2
SCHEMBL5379529 0.79 PTPN1 (0.35)
SCHEMBL28213747 0.77 ROCK2 (0.45) ROCK2HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219521-A1 NEW 2-(DIETHYLAMINO)-4,6-DIPHENYLBENZENE-1,3-CARBONITRILE DERIVATIVES, METHOD OF THEIR PRODUCTION, THEIR USE AND NEW PHOTOINITIATING SYSTEMS FOR PHOTOINITIATED CATIONIC, RADICAL, THIOL-ENE AND HYBRID POLYMERIZATION Politechnika Krakowska im. Tadeusza Kościuszki (PL) 2023-11-16 WO claimed
WO-2020120539-A1 NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 WO claimed
WO-2010020628-A1 NOVEL PRODUCTION METHOD FOR L-PIPERIDINE-4-YL-1,3-DIHYDRO-IMIDAZO [4,5-B] PYRIDINE-2-ONE AND MONO- AND DIHYDROCHLORIDES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 WO claimed
US-20250136585-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2025-05-01 US disclosed
WO-2024133551-A1 PESTICIDALLY ACTIVE PYRIDAZINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 WO disclosed
WO-2024123967-A1 SARM1 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS SENYA PHARMACEUTICALS, INC. (US) 2024-06-13 WO disclosed
WO-2024110554-A1 N-[(1 -[2-[6-(PYRIDAZIN-3-YL]-1,2,4-TRIAZOL-3-YL]ETHYL]-QUINAZOLIN-4-AMINE AND N-[1-[3-(6-(PYRIDAZIN-3-YL)PYRAZIN-2-YL]ETHYL]-8-QUINAZOLIN-4-AMINE DERIVATIVES AS PESTICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-05-30 WO disclosed
US-20240140951-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2024-05-02 US disclosed
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP disclosed
US-11919918-B2 P2X3 andor P2X2/3 receptor antagonist, pharmaceutical composition comprising same, and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2024-03-05 US disclosed
EP-3712144-B1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2024-02-14 EP disclosed
US-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed
WO-2010086820-A1 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PFIZER INC. (US) 2010-08-05 WO disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-7718645-B2 Substituted bicyclolactam compounds PFIZER INC. (US) 2010-05-18 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed
US-20090137551-A1 Substituted Bicyclolactam Compounds PFIZER INC 2009-05-28 US disclosed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER INC 2009-02-05 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 (8 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD ROCK2 4464/4885HSP90AA1 1650/4885HSP90AB1 1270/4885
US-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CYP3A7, QDPR, DHFR ROCK2 3386/4885HSP90AA1 4474/4885HSP90AB1 4428/4885
US-20240140951-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS IL-17 MODULATORS IL17A, IL15, IL2 ROCK2 3893/4885HSP90AA1 1422/4885HSP90AB1 1083/4885
US-11919918-B2 P2X3 andor P2X2/3 receptor antagonist, pharmaceutical composition comprising same, and use thereof P2RX3, P2RX2, P2RX1 ROCK2 4379/4885HSP90AA1 2450/4885HSP90AB1 2311/4885
US-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E ROCK2 2208/4885HSP90AA1 4015/4885HSP90AB1 4174/4885
US-20090137551-A1 Substituted Bicyclolactam Compounds CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 ROCK2 886/4885HSP90AA1 4539/4885HSP90AB1 4364/4885
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 ROCK2 886/4885HSP90AA1 4539/4885HSP90AB1 4364/4885
US-20250136585-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER ORC3, CYP1B1, CRY1 ROCK2 4332/4885HSP90AA1 4552/4885HSP90AB1 4669/4885

“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.