SCHEMBL17315451

SCHEMBL17315451

COc1ccc2c(CCNc3cc(-c4cccc(C)c4C)nc(N)n3)c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.61
CYP1A2 P05177 11/20 0.55
CYP2D6 P10635 11/20 0.55
CYP3A4 P08684 10/20 0.55
CYP2C19 P33261 10/20 0.55
CLK4 Q9HAZ1 10/20 0.55
USP2 O75604 9/20 0.55
ALOX15 P16050 5/20 0.55
CYP2C9 P11712 7/20 0.52
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
ALDH1A1 P00352 6/20 0.52
GLA P06280 2/20 0.52
ADORA2A P29274 2/20 0.51
ADORA2B P29275 2/20 0.51
MAPK1 P28482 5/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL17315197 0.93 CYP1A2 (0.64) PTGDRCYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL15756990 0.87 NUDT1 (0.53) CYP1A2CYP2D6CYP3A4CYP2C19CLK4
SCHEMBL17315575 0.82 NUDT1 (0.54) PTGDRCYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL17315426 0.82 NUDT1 (0.49) PTGDRCYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL17315364 0.82 PTGS1 (0.51) CYP1A2CYP2D6CYP3A4CYP2C19CLK4
SCHEMBL17315483 0.82 TRPM8 (0.55) CYP1A2CYP2D6CYP3A4CYP2C19CLK4
SCHEMBL15757654 0.81 NUDT1 (0.48) PTGDRCYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL15757063 0.81 NUDT1 (0.57) PTGDRNUDT1
SCHEMBL15757384 0.79 NUDT1 (0.57) MTNR1AMTNR1BNUDT1TP53MAPT
SCHEMBL15757051 0.78 NUDT1 (0.56) PTGDRCYP1A2CYP2D6CYP3A4CYP2C19

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 PTGDR 4458/4885CYP1A2 2511/4885CYP2D6 3393/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT PTGDR 4458/4885CYP1A2 2511/4885CYP2D6 3393/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT PTGDR 4458/4885CYP1A2 2511/4885CYP2D6 3393/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT PTGDR 4458/4885CYP1A2 2511/4885CYP2D6 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.