SCHEMBL6535

SCHEMBL6535

Nc1n[c]c2nc[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
PDPK1 O15530 1/20 0.33
GDA Q9Y2T3 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
RAD52 P43351 1/20 0.32
CDK2 P24941 1/20 0.32
DPP4 P27487 1/20 0.32
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HPGD P15428 1/20 0.31
PTGS1 P23219 1/20 0.31
MAPK3 P27361 1/20 0.31
XDH P47989 1/20 0.31
HBB P68871 1/20 0.31

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
SCHEMBL7493590 0.72
SCHEMBL7496538 0.69 PDK2 (0.30)
SCHEMBL132014 0.68
SCHEMBL2867175 0.68 ALDH1A1 (0.46) ALDH1A1PDPK1GDACDK2DPP4
SCHEMBL7482351 0.66 GPR84 (0.34) PDPK1MAPTCDK2HPGDXDH
2-Aminopurine SCHEMBL28283405 0.65 ALDH1A1 (0.47) ALDH1A1PDPK1GDAKDM4EMAPT
SCHEMBL7489509 0.65 GPR84 (0.33) ALDH1A1ADORA3HPGDXDH
6-Chloroguanine SCHEMBL9183926 0.63 DPP4 (0.50) ALDH1A1PDPK1GDACDK2DPP4
2-Aminopurine SCHEMBL29901502 0.63 ALDH1A1 (0.48) ALDH1A1PDPK1GDAKDM4EMAPT
2,6-Diaminopurine SCHEMBL29444619 0.63 GDA (0.48) ALDH1A1PDPK1GDACDK2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391808-A1 PHOSPHAPHENALENE-GOLD(I) COMPLEXES AS CHEMOTHERAPEUTIC AGENTS AGAINST GLIOBLASTOMA UNIVERSITY OF CASTILLA-LA-MANCHA (ES) 2023-12-07 US claimed
EP-4228652-A1 PHOSPHAPHENALENE-GOLD(I) COMPLEXES AS CHEMOTHERAPEUTIC AGENTS AGAINST GLIOBLASTOMA Heidelberg University (DE) 2023-08-23 EP claimed
WO-2022079085-A1 PHOSPHAPHENALENE-GOLD(I) COMPLEXES AS CHEMOTHERAPEUTIC AGENTS AGAINST GLIOBLASTOMA HEIDELBERG UNIVERSITY (DE) 2022-04-21 WO claimed
US-8895747-B2 Method and substances for preparation of N-substituted pyridinium compounds ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-11-25 US claimed
US-20230391808-A1 PHOSPHAPHENALENE-GOLD(I) COMPLEXES AS CHEMOTHERAPEUTIC AGENTS AGAINST GLIOBLASTOMA UNIVERSITY OF CASTILLA-LA-MANCHA (ES) 2023-12-07 US disclosed
EP-4228652-A1 PHOSPHAPHENALENE-GOLD(I) COMPLEXES AS CHEMOTHERAPEUTIC AGENTS AGAINST GLIOBLASTOMA Heidelberg University (DE) 2023-08-23 EP disclosed
WO-2022079085-A1 PHOSPHAPHENALENE-GOLD(I) COMPLEXES AS CHEMOTHERAPEUTIC AGENTS AGAINST GLIOBLASTOMA HEIDELBERG UNIVERSITY (DE) 2022-04-21 WO disclosed
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
US-10179790-B2 MTH1 inhibitors for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-15 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 US disclosed
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
EP-2396315-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2011-12-21 EP disclosed
WO-2011058111-A1 AMINOPURINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2011058111-A1 AMINOPURINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2010092340-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-08-19 WO disclosed
EP-0448726-B1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-04-24 EP disclosed
US-5338844-A 2-substituted-2-cyclopentenone compound and anticancer agent and bone formation accelerator comprising same as active ingredient TEIJIN LIMITED (JP) 1994-08-16 US disclosed
US-5216183-A Antitumor, anticarcinogenic agents; bone formation accelerators TEIJIN LIMITED (JP) 1993-06-01 US disclosed
EP-0448726-A1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-10-02 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 (6 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-10179790-B2 MTH1 inhibitors for treatment of cancer MTHFD1, MTHFD2, DPYD ALDH1A1 103/4885PDPK1 1343/4885GDA 1013/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885PDPK1 1532/4885GDA 1694/4885
US-20230391808-A1 PHOSPHAPHENALENE-GOLD(I) COMPLEXES AS CHEMOTHERAPEUTIC AGENTS AGAINST GLIOBLASTOMA GPX1, IDH1, GPX4 ALDH1A1 140/4885PDPK1 115/4885GDA 127/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885PDPK1 1532/4885GDA 1694/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885PDPK1 1532/4885GDA 1694/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885PDPK1 1532/4885GDA 1694/4885

“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.