SCHEMBL3945480

SCHEMBL3945480

Cc1cccc(-c2cc(Cl)nc(N)n2)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.61
HSP90AB1 P08238 10/20 0.61
KDM4E B2RXH2 1/20 0.51
NUDT1 P36639 3/20 0.51
KMT2A Q03164 1/20 0.47
CDC7 O00311 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
GRK5 P34947 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAPK8 P45983 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CDK8 P49336 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL17325860 0.87 NUDT1 (0.51) HSP90AA1HSP90AB1NUDT1KMT2ADYRK1A
SCHEMBL15757130 0.87 NUDT1 (0.64) HSP90AA1HSP90AB1KDM4ENUDT1KMT2A
SCHEMBL3952089 0.87 HSP90AA1 (0.70) HSP90AA1HSP90AB1KDM4ENUDT1KMT2A
SCHEMBL29571104 0.87 HSP90AA1 (0.70) HSP90AA1HSP90AB1KDM4ENUDT1KMT2A
SCHEMBL4281168 0.83 HSP90AA1 (0.75) HSP90AA1HSP90AB1KDM4ENUDT1KMT2A
SCHEMBL22501986 0.83 HSP90AA1 (0.66) HSP90AA1HSP90AB1KDM4EKMT2AADCY10
SCHEMBL15756934 0.82 NUDT1 (0.77) HSP90AA1HSP90AB1NUDT1ROCK1CLK4
Hydrochloric Acid SCHEMBL22502036 0.81 HSP90AA1 (0.64) HSP90AA1HSP90AB1KDM4EKMT2AADCY10
SCHEMBL30862038 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1KDM4ENUDT1KMT2A
SCHEMBL29124574 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1KDM4ENUDT1KMT2A

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 43 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
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-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-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 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
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-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
EP-2049497-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS Astex Therapeutics Limited (GB) 2009-04-22 EP disclosed
WO-2006123165-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-11-23 WO 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 HSP90AA1 458/4885HSP90AB1 346/4885KDM4E 3062/4885
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer DPYD, MTHFD1, TYMS HSP90AA1 1619/4885HSP90AB1 1503/4885KDM4E 2454/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT HSP90AA1 385/4885HSP90AB1 249/4885KDM4E 3971/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT HSP90AA1 385/4885HSP90AB1 249/4885KDM4E 3971/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT HSP90AA1 385/4885HSP90AB1 249/4885KDM4E 3971/4885
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885KDM4E 4124/4885

“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.