SCHEMBL3303816

SCHEMBL3303816

Cc1ccc(Cn2c(N)nc3nc[nH]c3c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PNP P00491 2/20 0.50
PIN1 Q13526 1/20 0.49
ADORA3 P0DMS8 2/20 0.46
ADORA2B P29275 1/20 0.46
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
P2RX7 Q99572 1/20 0.41
MPO P05164 1/20 0.40
TPO P07202 1/20 0.40
ADORA1 P30542 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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 SCHEMBL18605970 0.99 KDM4E (0.50) KDM4EPNPPIN1ADORA3ADORA2B
SCHEMBL1262627 0.88 PNP (0.51) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3308563 0.88 PNP (0.51) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL17186343 0.88 ADORA2B (0.49) KDM4EPNPPIN1ADORA3ADORA2B
SCHEMBL3021043 0.87 PNP (0.50) KDM4EPNPADORA3ADORA2BPDE4A
SCHEMBL3310277 0.87 PNP (0.50) PNPPIN1ADORA3ADORA2BPDE4A
SCHEMBL1533551 0.87 MPO (0.54) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3305589 0.87 PNP (0.44) KDM4EPNPPIN1ADORA3ADORA2B
SCHEMBL18250 0.87 PNP (0.66) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3303773 0.86 PNP (0.47) KDM4EPNPADORA3ADORA2BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US claimed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP claimed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO claimed
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-10-02 US claimed
US-8791081-B2 MGMT inhibitor combination for the treatment of neoplastic disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-29 US claimed
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS LIU LILI 2010-04-15 US claimed
WO-2008109417-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2008-09-12 WO claimed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-06-08 US disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
US-10981913-B2 11C -labeled 06 -benzylguanine, pet probe capable of visualizing 06-methyl guanine methyl-transferase activity, and production method of the same NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2021-04-20 US disclosed
WO-2014004376-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (CA) 2014-01-03 WO disclosed
EP-1054890-A1 OLIGODEOXYRIBONUCLEOTIDES COMPRISING O6-BENZYLGUANINE AND THEIR USE THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2000-11-29 EP disclosed
WO-1999041269-A1 OLIGODEOXYRIBONUCLEOTIDES COMPRISING O6-BENZYLGUANINE AND THEIR USE THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-08-19 WO disclosed
EP-0523100-B1 O6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY US HEALTH (US) 1996-08-28 EP disclosed
EP-0523100-A4 O?6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O?6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY US HEALTH (US) 1993-03-17 EP disclosed
EP-0523100-A1 O?6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O?6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY. US HEALTH (US) 1993-01-20 EP disclosed
WO-1991013898-A1 O6-BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-09-19 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 (7 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT KDM4E 714/4885PNP 39/4885PIN1 2640/4885
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG KDM4E 2277/4885PNP 560/4885PIN1 2059/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 KDM4E 2148/4885PNP 2352/4885PIN1 3431/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG KDM4E 2277/4885PNP 569/4885PIN1 1953/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 KDM4E 659/4885PNP 292/4885PIN1 1818/4885
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DDOST, DAD1, PHGDH KDM4E 3730/4885PNP 3939/4885PIN1 2695/4885
US-10981913-B2 11C -labeled 06 -benzylguanine, pet probe capable of visualizing 06-methyl guanine methyl-transferase activity, and production method of the same DIMT1, MPG, NUDT1 KDM4E 1198/4885PNP 189/4885PIN1 1405/4885

“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.