SCHEMBL1646548

SCHEMBL1646548

CC1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIM1 P11309 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL736095 1.00 KDM4E (0.47) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL736305 1.00 KDM4E (0.47) KDM4EALDH1A1ALOX15KMT2AMEN1
Ammonia Solution, Strong SCHEMBL27775749 0.98 KDM4E (0.46) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL25142700 0.95 KDM4E (0.44) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL14355433 0.89 KDM4E (0.53) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL81624 0.89 L3MBTL1 (0.39) KDM4EALDH1A1ALOX15L3MBTL3L3MBTL1
SCHEMBL18976856 0.89 KDM4E (0.53) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL19936629 0.86 ALDH1A1 (0.37) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL16675697 0.86 ALDH1A1 (0.37) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL26475395 0.86 ALDH1A1 (0.44) KDM4EALDH1A1ALOX15KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4833059-B2 2011-12-07 JP claimed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US claimed
EP-1836199-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP claimed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US claimed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO claimed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP claimed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO claimed
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
WO-2023142754-A1 EZH1/2 INHIBITOR, PREPARATION THEREOF, AND USE THEREOF IN ANTI-TUMOR THERAPY 江苏天士力帝益药业有限公司 2023-08-03 WO disclosed
WO-2023064366-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES DERIVATIVES AS INHIBITORS OF DYRK1A BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
WO-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 WO disclosed
EP-3153023-B1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE TAKEDA PHARMACEUTICALS CO (JP) 2022-03-16 EP disclosed
US-7385059-B2 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections ASTEX THERAPEUTICS LIMITED (GB) 2008-06-10 US disclosed
EP-1836199-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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 (4 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-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN KDM4E 983/4885ALDH1A1 4351/4885ALOX15 4323/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 KDM4E 737/4885ALDH1A1 4170/4885ALOX15 4792/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 KDM4E 828/4885ALDH1A1 1157/4885ALOX15 2981/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 KDM4E 1204/4885ALDH1A1 4235/4885ALOX15 1532/4885

“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.