SCHEMBL4281168

SCHEMBL4281168

Nc1nc(Cl)cc(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.75
HSP90AB1 P08238 9/20 0.75
NUDT1 P36639 4/20 0.66
KDM4E B2RXH2 1/20 0.54
CYP2D6 P10635 1/20 0.49
MAOA P21397 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
SCN4A P35499 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
PDE3A Q14432 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
PTPN1 P18031 1/20 0.48
CDC7 O00311 1/20 0.47
DAPK3 O43293 1/20 0.47

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
SCHEMBL7382138 0.86 NUDT1 (0.66) HSP90AA1HSP90AB1NUDT1CYP2D6MAOA
SCHEMBL3950560 0.86 HSP90AA1 (1.00) HSP90AA1HSP90AB1NUDT1KDM4EPTPN1
SCHEMBL15757653 0.86 HSP90AA1 (0.67) HSP90AA1HSP90AB1NUDT1KDM4ECDC7
SCHEMBL3945480 0.83 HSP90AA1 (0.61) HSP90AA1HSP90AB1NUDT1KDM4ECDC7
SCHEMBL15756870 0.83 HSP90AA1 (0.71) HSP90AA1HSP90AB1NUDT1KDM4ECDC7
SCHEMBL28043877 0.82 HSP90AA1 (0.59) HSP90AA1HSP90AB1NUDT1KDM4ECDC7
SCHEMBL28043914 0.81 HSP90AA1 (0.67) HSP90AA1HSP90AB1NUDT1KDM4ECDC7
SCHEMBL29417852 0.80 NUDT1 (1.00) HSP90AA1HSP90AB1NUDT1CYP2D6MAOA
SCHEMBL15757374 0.80 NUDT1 (1.00) HSP90AA1HSP90AB1NUDT1CYP2D6MAOA
SCHEMBL3952031 0.80 HSP90AA1 (0.78) HSP90AA1HSP90AB1NUDT1KDM4EADCY10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925744-B1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2020-12-30 EP 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-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-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-08 US disclosed
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-08 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-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-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-06-21 US disclosed
WO-2015187089-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
WO-2015187089-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
WO-2015187088-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
CN-105143206-A Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING 2015-12-09 CN disclosed
EP-2925744-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2015-10-07 EP disclosed
WO-2014084778-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2014-06-05 WO disclosed
WO-2014084778-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2014-06-05 WO disclosed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 US 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-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER DPYD, MTHFD1, TYMS HSP90AA1 1619/4885HSP90AB1 1503/4885NUDT1 11/4885
US-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT HSP90AA1 4126/4885HSP90AB1 4236/4885NUDT1 5/4885
US-10179790-B2 MTH1 inhibitors for treatment of cancer MTHFD1, MTHFD2, DPYD HSP90AA1 458/4885HSP90AB1 346/4885NUDT1 27/4885
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer DPYD, MTHFD1, TYMS HSP90AA1 1619/4885HSP90AB1 1503/4885NUDT1 11/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT HSP90AA1 385/4885HSP90AB1 249/4885NUDT1 28/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HSP90AA1 4006/4885HSP90AB1 3829/4885NUDT1 7/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT HSP90AA1 385/4885HSP90AB1 249/4885NUDT1 28/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT HSP90AA1 385/4885HSP90AB1 249/4885NUDT1 28/4885

“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.