SCHEMBL3199851

SCHEMBL3199851

Nc1nc(Cl)cc(NC2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.51
NUDT1 P36639 3/20 0.48
PIK3CA P42336 2/20 0.46
CYP2D6 P10635 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.41
POLA1 P09884 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
MEN1 O00255 1/20 0.40
CCNT1 O60563 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL24253756 0.91 OPRK1 (0.46) OPRK1NUDT1PIK3CACYP2D6MAPT
SCHEMBL29047997 0.91 OPRK1 (0.46) OPRK1NUDT1PIK3CACYP2D6MAPT
SCHEMBL30424176 0.91 OPRK1 (0.46) OPRK1NUDT1PIK3CACYP2D6MAPT
SCHEMBL15757238 0.89 OPRK1 (0.56) OPRK1NUDT1CYP2D6MAPTCYP2C19
SCHEMBL13153722 0.85 NUDT1 (0.59) OPRK1NUDT1CYP2D6MAPTMAPK1
SCHEMBL1316806 0.85 NUDT1 (0.64) OPRK1NUDT1CYP2D6MAPK1CYP2C19
SCHEMBL1318447 0.84 NUDT1 (0.67) OPRK1NUDT1CYP2D6MAPK1CYP2C19
SCHEMBL16711168 0.84 NUDT1 (0.67) OPRK1NUDT1CYP2D6MAPK1CYP2C19
SCHEMBL15757573 0.79 NUDT1 (0.51) NUDT1PIK3CAMAPK1HRH4PIM1
SCHEMBL15757552 0.76 NUDT1 (0.54) NUDT1PIK3CAMAPK1HRH4CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US claimed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP claimed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO 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-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
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2016-01-07 US disclosed
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2016-01-07 US disclosed
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2016-01-07 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 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 (7 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 OPRK1 4739/4885NUDT1 11/4885PIK3CA 1624/4885
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer DPYD, MTHFD1, TYMS OPRK1 4765/4885NUDT1 9/4885PIK3CA 1648/4885
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer DPYD, MTHFD1, TYMS OPRK1 4739/4885NUDT1 11/4885PIK3CA 1624/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT OPRK1 4771/4885NUDT1 28/4885PIK3CA 2957/4885
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 OPRK1 175/4885NUDT1 76/4885PIK3CA 1082/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT OPRK1 4771/4885NUDT1 28/4885PIK3CA 2957/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT OPRK1 4771/4885NUDT1 28/4885PIK3CA 2957/4885

“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.