SCHEMBL357002

SCHEMBL357002

Clc1ncc2nc[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
XDH P47989 1/20 0.34
EGFR P00533 1/20 0.33
MAPT P10636 1/20 0.33
RPS6KA5 O75582 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 2/20 0.32
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TP53 P04637 1/20 0.30
PTGS1 P23219 1/20 0.30
HBB P68871 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
Hydrochloric Acid SCHEMBL4982874 0.98 KDM4E (0.47) KDM4ETYRO3DYRK1BALDH1A1HPGD
SCHEMBL9239547 0.98 KDM4E (0.47) KDM4ETYRO3DYRK1BALDH1A1HPGD
SCHEMBL30586390 0.79 KDM4E (0.37) KDM4ETYRO3DYRK1BALDH1A1HPGD
SCHEMBL4480587 0.79 KDM4E (0.33) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL4323514 0.78 KDM4E (0.35) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL2009845 0.74 KDM4E (0.35) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1590661 0.74 KDM4E (0.35) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL11486221 0.74 KDM4E (0.35) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL99268 0.74 KDM4E (0.35) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL22430792 0.74 KDM4E (0.35) KDM4EALDH1A1HPGDGLAGAA

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 1132 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
CN-105153163-A 2,9-disubstituted purine-6-amino hydroxamic acid HDAC (histone deacetylase) inhibitor, preparation method and application UNIV SHANDONG 2015-12-16 CN claimed
CN-103304601-B Tenofovir disoproxil new synthetic process Chengdu Fluorine Bio-tech Co., Ltd. (CN) 2015-09-30 CN claimed
US-20140371450-A1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES HCR COLLATERAL MANAGEMENT, LLC 2014-12-18 US 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 3595/4885TYRO3 1890/4885DYRK1B 1019/4885

“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.