SCHEMBL1318375

SCHEMBL1318375

CCNc1cc(Cl)nc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
HRH4 Q9H3N8 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
POLA1 P09884 1/20 0.47
TLR8 Q9NR97 2/20 0.45
AURKA O14965 1/20 0.43
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.43
AURKB Q96GD4 1/20 0.43
RAB9A P51151 2/20 0.42
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL8597545 0.85 CYP2D6 (0.70) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL8600881 0.82 TLR8 (0.69) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL17705966 0.81 CYP2D6 (0.51) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL11752857 0.81 CYP2D6 (0.64) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL9316218 0.80 CYP2D6 (0.58) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL5155792 0.80 CYP2D6 (0.58) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL8071869 0.80 HRH4 (0.61) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL10093922 0.80 ESR1 (0.50) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL10102121 0.80 TLR8 (0.47) CYP2D6CYP2C19HRH4SMN1; SMN2KMT2A
SCHEMBL7135338 0.80 CYP2D6 (0.62) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1

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 44 patents — showing the first 20. 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 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
CN-105143206-B Pyrimidine -2,4- diamine derivative for treating cancer 托马斯·黑勒戴药物研究基金会 2019-01-15 CN 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-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-06-21 US 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-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
WO-2010120854-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-10-21 WO disclosed
US-5772990-A Composition for slowing down the loss of hair based on pyrimidine N-oxides triaminosubstituted or their sulfoconjugated L'OREAL (FR) 1998-06-30 US disclosed
EP-0519819-B1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide OREAL (FR) 1995-07-19 EP disclosed
EP-0519819-A1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide L'OREAL (FR) 1992-12-23 EP 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-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER DPYD, MTHFD1, TYMS CYP2D6 1780/4885CYP2C19 2518/4885HRH4 2691/4885
US-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 CYP2D6 1500/4885CYP2C19 2008/4885HRH4 677/4885
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer DPYD, MTHFD1, TYMS CYP2D6 1780/4885CYP2C19 2518/4885HRH4 2691/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT CYP2D6 3393/4885CYP2C19 3609/4885HRH4 1332/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT CYP2D6 3393/4885CYP2C19 3609/4885HRH4 1332/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT CYP2D6 3393/4885CYP2C19 3609/4885HRH4 1332/4885

“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.