SCHEMBL3308559

SCHEMBL3308559

Nc1nc2c(ncn2Cc2ccc(Cl)cc2)c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 13/20 0.79
XDH P47989 2/20 0.64
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
TK1 P04183 2/20 0.56
BLM P54132 2/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
EDNRA P25101 1/20 0.55
HTR2A P28223 1/20 0.55
RECQL P46063 1/20 0.55
HBB P68871 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
NFKB1 P19838 1/20 0.53
VCP P55072 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL1262622 0.90 PNP (0.79) PNPHSP90AA1HSP90AB1TK1BLM
SCHEMBL3303813 0.88 PNP (0.77) PNPXDHHSP90AA1HSP90AB1TK1
SCHEMBL1533549 0.88 PNP (0.77) PNPHSP90AA1HSP90AB1TK1BLM
SCHEMBL3310273 0.88 PNP (0.77) PNPHSP90AA1HSP90AB1TK1BLM
SCHEMBL3021041 0.88 PNP (0.77) PNPTK1BLMUSP2TSHR
SCHEMBL18249 0.88 PNP (1.00) PNPXDHTK1
SCHEMBL8145519 0.88 PNP (0.72) PNPXDHHSP90AA1HSP90AB1TK1
SCHEMBL3303770 0.88 PNP (0.72) PNPXDHHSP90AA1HSP90AB1TK1
Hydrochloric Acid SCHEMBL17186491 0.87 PNP (0.75) PNPXDHHSP90AA1HSP90AB1TK1
SCHEMBL9226982 0.87 PNP (0.79) PNPHSP90AA1HSP90AB1TK1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11986480-B2 Heterocyclic compound TOHOKU UNIVERSITY (JP) 2024-05-21 US 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
EP-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-20200163970-A1 HETEROCYCLIC COMPOUND TOHOKU UNIVERSITY (JP) 2020-05-28 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
WO-2001085221-A2 ASSESSING LEVELS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE IN VIVO DUKE UNIVERSITY (US) 2001-11-15 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
US-4874862-A Process for preparing guanine derivatives WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
EP-0156559-B1 8-SUBSTITUTED GUANINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-08-02 EP disclosed
US-4748177-A Guanine derivatives WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0156559-A2 8-Substituted guanine derivatives WARNER-LAMBERT COMPANY (US) 1985-10-02 EP 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 (8 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 PNP 39/4885XDH 584/4885HSP90AA1 2728/4885
US-20200163970-A1 HETEROCYCLIC COMPOUND SQSTM1, BECN1, ATG7 PNP 4447/4885XDH 4706/4885HSP90AA1 1000/4885
US-11986480-B2 Heterocyclic compound SQSTM1, BECN1, ATG7 PNP 4447/4885XDH 4706/4885HSP90AA1 1000/4885
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PNP 560/4885XDH 1505/4885HSP90AA1 608/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 PNP 2352/4885XDH 3691/4885HSP90AA1 1274/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PNP 2087/4885XDH 2654/4885HSP90AA1 3590/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PNP 569/4885XDH 1511/4885HSP90AA1 575/4885
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DDOST, DAD1, PHGDH PNP 3939/4885XDH 2233/4885HSP90AA1 3738/4885

“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.