SCHEMBL403516

SCHEMBL403516

[NH]C(=O)CCCN1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
ADRA1B P35368 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6956193 0.89 TSHR (0.52) TSHRKMT2ARAB9ANPC1MEN1
SCHEMBL4575280 0.84 TSHR (0.65) TSHRKMT2ARAB9ANPC1MEN1
SCHEMBL855306 0.84 TSHR (0.50) TSHRKMT2ARAB9ANPC1MEN1
SCHEMBL7439969 0.82 TSHR (0.49) TSHRKMT2ARAB9ANPC1MEN1
SCHEMBL805268 0.82 KMT2A (0.51) TSHRKMT2ARAB9ANPC1MEN1
SCHEMBL5424673 0.80 PIK3CD (0.54) TSHRKMT2AMEN1ADRA1B
SCHEMBL2944990 0.79 TSHR (0.49) TSHRKMT2ARAB9ANPC1MEN1
SCHEMBL1627525 0.79 CYP1A2 (0.52) TSHRKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL989008 0.78 PIK3CD (0.52) TSHRKMT2AMEN1ADRA1B
SCHEMBL19514132 0.78 PIK3CD (0.52) TSHRKMT2AMEN1ADRA1B

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 65 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
EP-1587473-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2005-10-26 EP disclosed
EP-1575940-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2005-09-21 EP disclosed
EP-1537099-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-06-08 EP disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 US disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 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-2004060308-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2004-07-22 WO disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 WO disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 WO 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-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 TSHR 3937/4885KMT2A 4783/4885RAB9A 833/4885
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 TSHR 4015/4885KMT2A 1554/4885RAB9A 881/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 TSHR 3873/4885KMT2A 2949/4885RAB9A 778/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TSHR 2747/4885KMT2A 3714/4885RAB9A 2447/4885
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 TSHR 3033/4885KMT2A 2176/4885RAB9A 2723/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB TSHR 4317/4885KMT2A 3535/4885RAB9A 3754/4885
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 TSHR 4015/4885KMT2A 1554/4885RAB9A 881/4885
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 TSHR 3033/4885KMT2A 2176/4885RAB9A 2723/4885

“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.