SCHEMBL2563787

SCHEMBL2563787

C=CCSc1ncc2[nH]cnc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 4/20 0.39
CDK2 P24941 2/20 0.37
QPCT Q16769 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 4/20 0.36
PAK1 Q13153 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
POLA1 P09884 1/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL11802315 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ECDK2RXFP1HPGD
SCHEMBL7592034 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9ACDK2QPCT
SCHEMBL30729987 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9ACDK2QPCT
SCHEMBL11414191 0.74 PDPK1 (0.51) ALDH1A1TP53RAB9ACDK2HPGD
SCHEMBL27535767 0.74 XDH (0.47) ALDH1A1KDM4EL3MBTL1RAB9ACDK2
SCHEMBL1371022 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ETP53CDK2RXFP1
SCHEMBL28715732 0.73 ALDH1A1 (0.58) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL29120496 0.73 KDM4E (0.58) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL30578627 0.73 POLB (0.49) ALDH1A1KDM4ETP53RAB9ACDK2
SCHEMBL1079075 0.72 ALDH1A1 (0.49) ALDH1A1KDM4ECDK2RXFP1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105601622-B 1- oxo/acylation -14- acylation Oridonin derivative, and its preparation method and application 本生药业(上海)有限公司 2019-03-05 CN disclosed
CN-107207525-B The triptolide amino acid derivativges of C14- hydroxy esterifications, and its preparation method and application 杭州卫本药业有限公司 2018-11-27 CN disclosed
CN-107898790-A For treating or preventing the antiviral JAK inhibitor of retrovirus and other virus infection 埃默里大学 2018-04-13 CN disclosed
CN-105418627-B 1-oxo/acylation-14-acylated oridonin derivative, and preparation method and application thereof 杭州本生药业有限公司 2018-02-23 CN disclosed
CN-107709344-A For treating the nucleoside analog of flaviviridae and cancer 共晶制药股份有限公司 2018-02-16 CN disclosed
CN-104039794-B The hanfangchin B derivative of 7 substitutions, and its preparation method and application 杭州本生药业有限公司 2017-11-03 CN disclosed
CN-107207404-A Compound, its separation method, synthetic method and purposes 北京北大维信生物科技有限公司 2017-09-26 CN disclosed
CN-107207525-A The triptolide amino acid derivativges of C14 hydroxy esterifications, and its preparation method and application 杭州卫本药业有限公司 2017-09-26 CN disclosed
CN-107108683-A 2 ', 2' -dihalonucleoside analogs for the treatment of flaviviridae viruses and cancer 共晶制药股份有限公司 2017-08-29 CN disclosed
CN-104185420-B Antiviral JAK inhibitors for the treatment or prevention of retroviral and other viral infections 埃默里大学 2017-06-09 CN disclosed
CN-103945852-A 2-substituted oleanolic acid derivative, method preparing for same, and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO LTD 2014-07-23 CN disclosed
EP-2552916-B1 PURINE COMPOUNDS USED AS CB2 AGONISTS LILLY CO ELI (US) 2014-05-21 EP disclosed
US-8710063-B2 Purine compounds used as CB2 agonists ELI LILLY AND COMPANY (US) 2014-04-29 US disclosed
CN-103687859-A Aminated derivative of homoharringtonine, preparation method therefor, and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO LTD 2014-03-26 CN disclosed
CN-103635475-A Tetrandrine derivative substituted by 5-carbon, and preparation method and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO LTD 2014-03-12 CN disclosed
CN-103635476-A Acylated derivative of homoharringtonine, preparation method therefor, and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO LTD 2014-03-12 CN disclosed
EP-2552916-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS Eli Lilly and Company (US) 2013-02-06 EP disclosed
US-20120329809-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2012-12-27 US disclosed
CN-102803263-A Purine compounds useful as CB2 agonists LILLY CO ELI 2012-11-28 CN disclosed
WO-2011123482-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2011-10-06 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 (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-20120329809-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS CNR2, CNR1, P2RX7 ALDH1A1 1891/4885KDM4E 4299/4885TP53 4794/4885

“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.