SCHEMBL2386548

SCHEMBL2386548

NC(=O)c1ncc(N)c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.36
PDPK1 O15530 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GDA Q9Y2T3 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PLAU P00749 2/20 0.34
SIRT6 Q8N6T7 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL28960724 0.83 GABRP (0.36) MEN1ALDH1A1GAAMAPTMAPK1
SCHEMBL14854851 0.72 ALDH1A1 (0.34) ALDH1A1GAAMAPT
SCHEMBL12970650 0.72 NNMT (0.41) NNMTPDPK1SMN1; SMN2GDAMEN1
SCHEMBL28419373 0.71 GAA (0.46) PDPK1MEN1ALDH1A1GAAMAPT
SCHEMBL28546020 0.70 HPGD (0.45) SMN1; SMN2MEN1ALDH1A1GAAMAPT
SCHEMBL1684235 0.70 LCK (0.36) NNMTSMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL14983663 0.68 POLB (0.40) NNMTMAPK1SIRT6IKBKB
SCHEMBL7064548 0.68 POLB (0.40) NNMTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL339177 0.67
SCHEMBL29382162 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US claimed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US claimed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 EP claimed
EP-3134439-B1 ANTI-PSYK ANTIBODY MOLECULES AND USE OF SAME FOR SYK-TARGETED THERAPY MILLENNIUM PHARM INC (US) 2018-12-26 EP disclosed
US-20180066068-A9 ANTI-PSYK ANTIBODY MOLECULES AND USE OF SAME FOR SYK-TARGETED THERAPY MILLENNIUM PHARMACEUTICALS, INC. 2018-03-08 US disclosed
EP-2917186-B1 ALKYL AMIDE-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL IN THE MODULATION OF IL-12, IL-23 AND/OR IFN BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-3134439-A1 ANTI-PSYK ANTIBODY MOLECULES AND USE OF SAME FOR SYK-TARGETED THERAPY Millennium Pharmaceuticals, Inc. (US) 2017-03-01 EP disclosed
US-20170037151-A1 ANTI-PSYK ANTIBODY MOLECULES AND USE OF SAME FOR SYK-TARGETED THERAPY MILLENNIUM PHARM INC (US) 2017-02-09 US disclosed
EP-2321283-B1 2,6-DIAMINO-PYRIMIDIN-5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2016-07-13 EP disclosed
WO-2015164330-A1 ANTI-PSYK ANTIBODY MOLECULES AND USE OF SAME FOR SYK-TARGETED THERAPY MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-29 WO disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
JP-2010174027-A DIAMINOPYRIMIDINE CARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC 2010-08-12 JP disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 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 (3 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 NNMT 397/4885PDPK1 1241/4885SMN1; SMN2 4649/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 NNMT 155/4885PDPK1 755/4885SMN1; SMN2 4496/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 NNMT 397/4885PDPK1 1241/4885SMN1; SMN2 4649/4885

“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.