SCHEMBL5206693

SCHEMBL5206693

NCCNc1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PTK2 Q05397 1/20 0.44
STK17A Q9UEE5 3/20 0.44
FERMT2 Q96AC1 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAPK1 P28482 1/20 0.42
FDPS P14324 1/20 0.41
FDFT1 P37268 1/20 0.41
NPC1 O15118 1/20 0.41

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
Hydrochloric Acid SCHEMBL6441856 0.98 MAOB (0.50) MAOBALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL10736213 0.89 STK17A (0.51) MAOBALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8346115 0.87 STK17A (0.48) MAOBALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL17604353 0.81 MKNK1 (0.52) MAOBALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL13947117 0.81 HCAR3 (0.56) ALDH1A1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL2028729 0.78 HRH3 (0.42) FERMT2ADRA2AADRA2BADRA2C
SCHEMBL1060108 0.77 NPC1 (0.49) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL18768716 0.77 DEGS1 (0.41) ADRA2AADRA2BADRA2C
SCHEMBL20156855 0.77 FERMT2 (0.44) FERMT2IDH1
Hydrochloric Acid SCHEMBL5694428 0.77 HRH3 (0.41) FERMT2ADRA2AADRA2BADRA2C

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 39 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
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 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-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-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 US disclosed
US-9944640-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-04-17 US disclosed
US-20170217961-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-08-03 US disclosed
US-6124305-A TREATING NON-INSULIN DEPENDENT DIABETES MELLITUS NOVARTIS AG (CH) 2000-09-26 US disclosed
US-6110949-A A SERINE PROTEASE INHIBITOR TREATING NON-INSULIN-DEPENDENT DIABETES MELLITUS NOVARTIS AG (CH) 2000-08-29 US disclosed
US-6107317-A ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2000-08-22 US disclosed
US-6011155-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-01-04 US disclosed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP disclosed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 WO disclosed
EP-0112707-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H1-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-04 EP disclosed
US-4652650-A Pyridylaminoalkylamine intermediates SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-24 US disclosed
US-4548940-A Pyridylaminoalkylaminopyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-22 US disclosed
EP-0112707-A2 Aminopyrimidinone derivatives as histamine H1-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-04 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 (8 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 MAOB 2643/4885ALDH1A1 127/4885HPGD 287/4885
US-20170217961-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER DPYD, MTHFD1, TYMS MAOB 2643/4885ALDH1A1 127/4885HPGD 287/4885
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer DPYD, MTHFD1, TYMS MAOB 2643/4885ALDH1A1 127/4885HPGD 287/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT MAOB 3850/4885ALDH1A1 240/4885HPGD 452/4885
US-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 MAOB 2462/4885ALDH1A1 4340/4885HPGD 3115/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT MAOB 3850/4885ALDH1A1 240/4885HPGD 452/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT MAOB 3850/4885ALDH1A1 240/4885HPGD 452/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 MAOB 2462/4885ALDH1A1 4340/4885HPGD 3115/4885

“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.