SCHEMBL2115657

SCHEMBL2115657

Nc1nc(SCc2ccccc2)c2[nH]cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 1.00
POLB P06746 1/20 1.00
CYP1A2 P05177 7/20 0.78
CYP3A4 P08684 7/20 0.78
CYP2C19 P33261 5/20 0.78
CYP2D6 P10635 5/20 0.78
CYP2C9 P11712 3/20 0.78
NUDT1 P36639 2/20 0.78
ALDH1A1 P00352 2/20 0.78
HPGD P15428 2/20 0.78
HSD17B10 Q99714 2/20 0.78
TOP2A P11388 1/20 0.78
HIF1A Q16665 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.65
CDC7 O00311 5/20 0.64
DBF4 Q9UBU7 5/20 0.64
ENPP1 P22413 1/20 0.60
CDK1 P06493 3/20 0.58
LMNA P02545 3/20 0.58
CCNB1 P14635 2/20 0.58

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
SCHEMBL24846512 0.88 CYP1A2 (1.00) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL24846529 0.88 POLB (0.78) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL3305057 0.86 PIN1 (0.76) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL24846524 0.86 PIN1 (0.75) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL24846509 0.84 CYP1A2 (0.88) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL5997872 0.83 POLB (0.71) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL25402245 0.83 POLB (0.71) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL24846515 0.83 PIN1 (0.70) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL9710360 0.82 PIN1 (0.68) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL7744410 0.81 CDC7 (0.69) PIN1POLBCYP1A2CYP3A4CYP2C19

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 59 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
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
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-0504279-A1 FERMENTATION PROCESS FOR THE PRODUCTION OF PYRIMIDINE DEOXYRIBONUCLEOSIDES. CHEMGEN CORP (US) 1992-09-23 EP 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
WO-1991009130-A1 FERMENTATION PROCESS FOR THE PRODUCTION OF PYRIMIDINE DEOXYRIBONUCLEOSIDES CHEMGEN CORPORATION (US) 1991-06-27 WO 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 382/4885CYP1A2 1732/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT PIN1 2640/4885POLB 382/4885CYP1A2 1732/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT PIN1 2640/4885POLB 382/4885CYP1A2 1732/4885
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PIN1 2059/4885POLB 27/4885CYP1A2 3849/4885
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 623/4885CYP1A2 3666/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 PIN1 3431/4885POLB 2157/4885CYP1A2 4656/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PIN1 1953/4885POLB 28/4885CYP1A2 3926/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT PIN1 2640/4885POLB 382/4885CYP1A2 1732/4885
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 3074/4885CYP1A2 3811/4885

“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.