SCHEMBL300491

SCHEMBL300491

c1c[nH]c(N2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
F2RL1 P55085 3/20 0.39
JAK3 P52333 2/20 0.38
CHKA P35790 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 3/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
GFER P55789 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL311710 0.98 BCHE (0.42) ALOX15BCHEACHEHIPK2F2RL1
Hydrochloric Acid SCHEMBL29375122 0.96 BCHE (0.41) ALOX15BCHEACHEHIPK2F2RL1
Hydrochloric Acid SCHEMBL9200760 0.93 ALOX15 (0.39) ALOX15BCHEACHEHIPK2F2RL1
Imidazole SCHEMBL8028921 0.84 ALDH1A1 (0.42) ALOX15BCHEACHEHIPK2F2RL1
SCHEMBL3096843 0.83 KDM4E (0.48) ALOX15ALDH1A1KDM4E
SCHEMBL4456263 0.81 KDM4E (0.47) ALDH1A1KDM4E
SCHEMBL6840293 0.81 NPC1 (0.41) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL6904489 0.81 TP53 (0.45) ALOX15HIPK2JAK3SMN1; SMN2HTT
SCHEMBL21047581 0.79 HIPK2 (0.42) ALOX15HIPK2SMN1; SMN2ALDH1A1LMNA
SCHEMBL6281359 0.78 AKT2 (0.49) ALOX15HIPK2TSHRNFKB1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025122482-A1 METHODS AND COMPOSITIONS TO INHIBIT TRIBBLES 2 FOR CANCER THERAPY HENRY FORD HEALTH SYSTEM (US) 2025-06-12 WO claimed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US claimed
US-20030100756-A1 1,5- disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases GLAXOSMITHKLINE LLC 2003-05-29 US claimed
US-6162804-A Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2000-12-19 US claimed
WO-2025122482-A1 METHODS AND COMPOSITIONS TO INHIBIT TRIBBLES 2 FOR CANCER THERAPY HENRY FORD HEALTH SYSTEM (US) 2025-06-12 WO disclosed
CN-107207531-B Fused imidazole derivatives as TGF-beta inhibitors 里格尔药品股份有限公司 2021-05-25 CN disclosed
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
US-20190031686-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) VALO EARLY DISCOVERY, INC. 2019-01-31 US disclosed
EP-2503395-B1 ELECTROPHOTOGRAPHY TONER SET KONICA MINOLTA BUSINESS TECH (JP) 2018-01-24 EP disclosed
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
EP-1181279-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-02-27 EP disclosed
WO-2000069830-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2000-11-23 WO disclosed
CN-1252806-A Dolastatin-15 derivatives having carbonyl and heterocyclic functional groups at the C-terminus BASF AG (DE) 2000-05-10 CN disclosed
EP-0981539-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP disclosed
US-5965537-A ANTICANCER AGENTS; WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
WO-1998040400-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed
US-4981827-A Catalysts IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-01 US disclosed
US-3976610-A Acrylate rubber vulcanizable compositions THE B. F. GOODRICH COMPANY (US) 1976-08-24 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 (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-20030100756-A1 1,5- disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases MAPKAPK2, MAPK4, MAP4K2 ALOX15 4502/4885BCHE 4307/4885ACHE 4727/4885
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB ALOX15 2175/4885BCHE 2599/4885ACHE 1992/4885
US-20190031686-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT ALOX15 2907/4885BCHE 1515/4885ACHE 899/4885

“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.