SCHEMBL17315364

SCHEMBL17315364

Cc1cccc(-c2cc(NCCc3c[nH]c4ccc(O)cc34)nc(N)n2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.51
NUDT1 P36639 1/20 0.49
CYP2D6 P10635 7/20 0.48
CYP1A2 P05177 6/20 0.48
CYP3A4 P08684 6/20 0.48
USP2 O75604 4/20 0.48
CYP2C19 P33261 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
ALOX15 P16050 3/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTR2C P28335 3/20 0.47
SPR P35270 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 2/20 0.47
IDO1 P14902 1/20 0.47
HPGD P15428 1/20 0.47
BLM P54132 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
SCHEMBL17315426 0.89 NUDT1 (0.49) PTGS1NUDT1CYP2D6CYP1A2CYP3A4
SCHEMBL15756990 0.89 NUDT1 (0.53) PTGS1NUDT1CYP2D6CYP1A2CYP3A4
SCHEMBL17315197 0.88 CYP1A2 (0.64) CYP2D6CYP1A2CYP3A4USP2CYP2C19
SCHEMBL17315483 0.85 TRPM8 (0.55) CYP2D6CYP1A2CYP3A4USP2CYP2C19
SCHEMBL17315575 0.84 NUDT1 (0.54) NUDT1CYP2D6CYP1A2CYP3A4USP2
SCHEMBL28152048 0.83 HTR2C (0.51) CYP2D6CYP1A2CYP3A4USP2CYP2C19
SCHEMBL17315451 0.82 PTGDR (0.61) NUDT1CYP2D6CYP1A2CYP3A4USP2
SCHEMBL15756971 0.80 NUDT1 (0.58) NUDT1SPRALDH1A1
SCHEMBL17315558 0.78 NUDT1 (0.74) NUDT1
SCHEMBL17315569 0.77 TRPM8 (0.50) NUDT1CYP2D6CYP1A2CYP3A4USP2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US claimed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US claimed
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-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-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 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-3151833-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT PTGS1 211/4885NUDT1 28/4885CYP2D6 3393/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT PTGS1 211/4885NUDT1 28/4885CYP2D6 3393/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT PTGS1 211/4885NUDT1 28/4885CYP2D6 3393/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT PTGS1 211/4885NUDT1 28/4885CYP2D6 3393/4885

“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.