SCHEMBL2115655

SCHEMBL2115655

Nc1nc(SCc2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.64
POLB P06746 1/20 0.64
MPO P05164 1/20 0.58
CYP1A2 P05177 5/20 0.53
CYP3A4 P08684 5/20 0.53
CYP2C19 P33261 5/20 0.53
CYP2C9 P11712 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HIF1A Q16665 2/20 0.53
PHLPP2 Q6ZVD8 1/20 0.53
CYP2D6 P10635 4/20 0.49
NUDT1 P36639 2/20 0.49
TOP2A P11388 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CDC7 O00311 2/20 0.47
DBF4 Q9UBU7 2/20 0.47
HSP90AA1 P07900 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 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
SCHEMBL13742763 0.88 CYP1A2 (0.64) PIN1POLBMPOCYP1A2CYP3A4
SCHEMBL3305050 0.86 PIN1 (0.48) PIN1POLBMPOCYP1A2CYP3A4
SCHEMBL13742855 0.86 HTT (0.49) PIN1POLBMPOCYP1A2CYP3A4
SCHEMBL13742811 0.84 CYP2D6 (0.57) PIN1POLBMPOCYP1A2CYP3A4
SCHEMBL14396701 0.83 POLB (0.47) PIN1POLBMPOCYP1A2CYP3A4
SCHEMBL31733017 0.83 POLB (0.47) PIN1POLBMPOCYP1A2CYP3A4
SCHEMBL17595223 0.83 SLC29A1 (0.53) PIN1POLBMPOCYP1A2CYP3A4
SCHEMBL2120063 0.81 CDC7 (0.61) PIN1POLBCYP1A2CYP3A4ALDH1A1
SCHEMBL31186612 0.81 CDC7 (0.61) PIN1POLBCYP1A2CYP3A4ALDH1A1
SCHEMBL14850600 0.80 ADORA2A (0.43) PIN1POLBMPOCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016038562-A1 THIOGUANINE DERIVATIVES MALAYSIAN INSTITUTE OF PHARMACEUTICALS AND NUTRACEUTICALS (MY) 2016-03-17 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
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 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
WO-1993014103-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-22 WO disclosed
US-5185437-A 6-substituted 2',3'-dideoxypurine nucleosides; treatment for human immunodeficiency virus and heptatis b virus BURROUGHS WELLCOME CO. (US) 1993-02-09 US disclosed
US-5068320-A 2-amino-6-(cyclopropylamino)purine-9-β-D-2',3'-dideoxyribofuranoside and its pharmaceutically acceptable salts BURROUGHS WELLCOME CO. (US) 1991-11-26 US disclosed
US-5017701-A Process for the preparation of purine derivatives BEECHAM GROUP, P.L.C. (GB) 1991-05-21 US disclosed
EP-0421819-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP disclosed
EP-0417999-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-03-20 EP disclosed
EP-0352953-A2 Process for the preparation of purine derivatives BEECHAM GROUP PLC (GB) 1990-01-31 EP disclosed
EP-0286425-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1988-10-12 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 (9 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 PIN1 2640/4885POLB 382/4885MPO 1082/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT PIN1 2640/4885POLB 382/4885MPO 1082/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT PIN1 2640/4885POLB 382/4885MPO 1082/4885
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PIN1 2059/4885POLB 27/4885MPO 1975/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 PIN1 1459/4885POLB 623/4885MPO 3938/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 PIN1 3431/4885POLB 2157/4885MPO 4859/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PIN1 1953/4885POLB 28/4885MPO 2010/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT PIN1 2640/4885POLB 382/4885MPO 1082/4885
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DDOST, DAD1, PHGDH PIN1 2695/4885POLB 3074/4885MPO 4827/4885

“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.