SCHEMBL357005

SCHEMBL357005

Clc1ncc2[nH]cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 1/20 0.59
CDK2 P24941 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PAK1 Q13153 1/20 0.44
XDH P47989 1/20 0.42
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CCNT1 O60563 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
DPP4 P27487 1/20 0.37
POLA1 P09884 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 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
Hydrochloric Acid SCHEMBL4982885 0.98 KDM4E (0.96) KDM4EALDH1A1CDK2RXFP1PAK1
Potassium SCHEMBL9239558 0.98 KDM4E (0.96) KDM4EALDH1A1CDK2RXFP1PAK1
2-Pyrrolidone SCHEMBL9226673 0.80 KDM4E (0.64) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL29452971 0.77 ALDH1A1 (0.63) KDM4EALDH1A1CDK2RXFP1PAK1
Purine SCHEMBL25254163 0.77 KDM4E (0.59) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL5748057 0.76 ALDH1A1 (0.61) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL3896 0.74 ALDH1A1 (0.59) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL408916 0.74 ALDH1A1 (0.59) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL11486223 0.74 ALDH1A1 (0.59) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL5170029 0.74 ALDH1A1 (0.59) KDM4EALDH1A1CDK2RXFP1PAK1

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 1045 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112245440-A Use of tocotrienol derivatives 北京蔚蓝之源医药科技有限公司 2021-01-22 CN claimed
CN-108484605-A A kind of chloro- 9- of 2- amino -6-(4- acetoxy-3s-acetyl-o-methyl butyl)The preparation method of purine 上药康丽(常州)药业有限公司 2018-09-04 CN claimed
EP-2663309-B1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES INFINITY PHARMACEUTICALS INC (US) 2017-03-15 EP claimed
CN-103648499-B Processes for preparing isoquinolinones and solid forms of isoquinolinones 无限药品股份有限公司 2017-02-15 CN claimed
US-9290497-B2 Processes for preparing isoquinolinones and solid forms of isoquinolinones INFINITY PHARMACEUTICALS, INC. (US) 2016-03-22 US claimed
CN-104031048-B A kind of β-chloroethylnitrosoureas compound and preparation method and use thereof BEIJING UNIVERSITY OF TECHNOLOGY (CN) 2016-03-09 CN claimed
CN-105294761-A Impurities of tenofovir disoproxil fumarate or tenofovir, and preparation method thereof ZHEJIANG JIUZHOU PHARMACEUTICAL TECHNOLOGY CO LTD 2016-02-03 CN claimed
US-20140371450-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES HCR COLLATERAL MANAGEMENT, LLC 2014-12-18 US claimed
CN-104031048-A Novel beta-chloroethylnitrosourea compounds, and synthesis method and application thereof UNIV BEIJING TECHNOLOGY 2014-09-10 CN claimed
CN-101856313-B Association of monosaccharides and adenosine and its cosmetic use OREAL 2014-02-19 CN claimed
WO-2005023811-A1 PROCESS FOR THE PREPARATION OF (1S, 4R) -CIS-4-‘2-AMINO-6CHLORO-9H-PURIN-9-YL!-2-CYCLOPENTENE-1-METHANOL GLAXO GROUP LIMITED (GB) 2005-03-17 WO claimed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO claimed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO claimed
EP-0861841-B1 PROCESS FOR PRODUCING 2-AMINO-6-IODOPURINE SUMIKA FINE CHEMICALS COMPANY (JP) 2001-04-04 EP claimed
US-5994541-A Process for producing 2-amino-6-iodopurine SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-11-30 US claimed
CN-1226602-A Fast culture media for mycobaterium tuberculosis and preparation thereof LIU ZHAOYUN (CN) 1999-08-25 CN claimed
EP-0861841-A1 PROCESS FOR PRODUCING 2-AMINO-6-IODOPURINE SUMIKA FINE CHEMICALS Company, Limited (JP) 1998-09-02 EP claimed
US-5264561-A Reaction with an acid anhydride in the presence of a catalyst such as zirconium oxide, titanium oxide, alumina and acetic anhydride JAPAN TOBACCO INC. (JP) 1993-11-23 US claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
US-3939089-A PEROXYSULFATE TOKAI DENKA KOGYO KABUSHIKI KAISHA (JA) 1976-02-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20140371450-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES PIK3CA, PDPK1, AKT3 KDM4E 3595/4885ALDH1A1 3633/4885CDK2 22/4885

“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.