SCHEMBL782938

SCHEMBL782938

Clc1ncc2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.53
CYP11B1 P15538 3/20 0.53
CYP11B2 P19099 3/20 0.53
TNF P01375 1/20 0.53
FGFR1 P11362 1/20 0.50
FGFR4 P22455 1/20 0.50
ADORA2A P29274 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CNR2 P34972 1/20 0.44
PNP P00491 2/20 0.44
CDK1 P06493 1/20 0.44
ACP1 P24666 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL30586363 0.85 YTHDC1 (0.51) YTHDC1CYP11B1CYP11B2TNFADORA2A
SCHEMBL9739273 0.84 ACP1 (0.49) YTHDC1TNFFGFR1FGFR4ADORA2A
SCHEMBL3657324 0.83 CYP11B1 (0.51) YTHDC1CYP11B1CYP11B2TNFFGFR1
SCHEMBL28299548 0.83 HDAC6 (0.63) CYP11B1CYP11B2TNFADORA2API4KA
SCHEMBL9738484 0.82 FGFR1 (0.49) YTHDC1FGFR1FGFR4ADORA2AHDAC6
SCHEMBL28236731 0.81 MET (0.50) YTHDC1CYP11B1CYP11B2FGFR1FGFR4
SCHEMBL9738831 0.81 FGFR1 (0.50) FGFR1FGFR4ADORA2AMAPK1HDAC6
SCHEMBL28183104 0.80 CYP11B1 (0.48) YTHDC1CYP11B1CYP11B2TNFADORA2A
SCHEMBL23093469 0.79 CYP1A2 (0.43) FGFR1FGFR4MAPK1
SCHEMBL21596047 0.79 L3MBTL1 (0.56) HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107445960-A The method for preparing 6 isothiocyanates purine 新乡学院 2017-12-08 CN claimed
CN-118638119-B Pyrazole purine herbicide safener as well as preparation method and application thereof 东北农业大学 2025-02-28 CN disclosed
CN-118638119-A Pyrazole purine herbicide safener as well as preparation method and application thereof 东北农业大学 2024-09-13 CN disclosed
CN-117430609-B Purine derivative compound, preparation method and application thereof 东北农业大学 2024-05-24 CN disclosed
CN-108697719-B Modulators of extracellular 5' -nucleotidases and uses thereof 艾库斯生物科学有限公司 2024-03-19 CN disclosed
CN-117430609-A Purine derivative compound, preparation method and application thereof 东北农业大学 2024-01-23 CN disclosed
CN-116693394-A Dehydrazine method and application 大连理工大学 2023-09-05 CN disclosed
CN-114395005-A Modulators of extracellular 5' -nucleotidase and uses thereof 艾库斯生物科学有限公司 2022-04-26 CN disclosed
CN-106632336-B A kind of chalcones derivative, the preparation method and the usage of purine-containing ring 贵州大学 2019-01-01 CN disclosed
CN-108892668-A Benzsulfamide chalcones derivative, the preparation method and the usage of purine-containing ring 贵州大学 2018-11-27 CN disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 EP disclosed
EP-2049491-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-22 EP disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 US disclosed
WO-2008019124-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070197528-A1 analgesic. especially acute, chronic and/or neuropathic pain; epilepsy and other CNS-related disorders as well as for neuroprotection or cardioprotection; 9-benzyl-8-(cyclopentylamine)-6-(4-nitrobenzyl-mercaptopurine GRUENENTHAL GMBH (DE) 2007-08-23 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-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 YTHDC1 4294/4885CYP11B1 615/4885CYP11B2 1174/4885
US-20070197528-A1 analgesic. especially acute, chronic and/or neuropathic pain; epilepsy and other CNS-related disorders as well as for neuroprotection or cardioprotection; 9-benzyl-8-(cyclopentylamine)-6-(4-nitrobenzyl-mercaptopurine TPMT, NLN, NNMT YTHDC1 2929/4885CYP11B1 476/4885CYP11B2 519/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 YTHDC1 1355/4885CYP11B1 2587/4885CYP11B2 2824/4885

“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.