SCHEMBL402113

SCHEMBL402113

N#Cc1ccc(NCCC([NH])=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.51
DPP4 P27487 10/20 0.50
DPP8 Q6V1X1 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.42
USP30 Q70CQ3 1/20 0.41
IDH1 O75874 2/20 0.40
VNN1 O95497 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
SCHEMBL21521629 0.87 DPP7 (0.52) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL4402745 0.82 DPP7 (0.48) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL6638863 0.82 DPP4 (0.53) DPP7DPP4DPP8MEN1KMT2A
Hydrochloric Acid SCHEMBL7587236 0.81 DPP7 (0.47) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL1726095 0.80 DPP7 (0.50) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL1514007 0.79 DPP4 (0.53) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL1724772 0.79 DPP4 (0.46) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL4445281 0.78 DPP4 (0.53) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL8312031 0.77 DPP4 (0.60) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL4393866 0.77 DPP7 (0.46) DPP7DPP4DPP8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS AG (CH) 2019-05-09 US disclosed
US-9452994-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-09-27 US disclosed
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES FLUBACHER DIETMAR (DE) 2016-09-01 US disclosed
EP-3040333-A1 CRYSTALLINE FORMS OF 5-(2,6-DI-4-MORPHOLINYL-4-PYRIDMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE, A PIK3 INHIBITOR Novartis AG (CH) 2016-07-06 EP disclosed
US-9359326-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-06-07 US disclosed
US-9181215-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-20 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS PHARMACEUTICALS CORPORATION 2015-05-21 US disclosed
EP-2637665-B1 DEXAMETHASONE COMBINATION THERAPY UNIV TEXAS (US) 2015-04-08 EP disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1587473-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2005-10-26 EP disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 US disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
WO-2004060308-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2004-07-22 WO disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 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 (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-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 DPP7 3346/4885DPP4 3928/4885DPP8 4100/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 DPP7 1534/4885DPP4 2817/4885DPP8 1945/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS DPP7 269/4885DPP4 201/4885DPP8 542/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 DPP7 595/4885DPP4 174/4885DPP8 611/4885
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 DPP7 1775/4885DPP4 861/4885DPP8 1821/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DPP7 3241/4885DPP4 2491/4885DPP8 2772/4885
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 DPP7 3346/4885DPP4 3928/4885DPP8 4100/4885
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 DPP7 1775/4885DPP4 861/4885DPP8 1821/4885

“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.