SCHEMBL402125

SCHEMBL402125

O=CNCCCC1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRB2 P47870 2/20 0.43
SLC6A12 P48065 2/20 0.43
SLC6A11 P48066 2/20 0.43
SLC6A13 Q9NSD5 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRR1 P24046 1/20 0.43
GABRA4 P48169 1/20 0.43
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
ADH1B P00325 4/20 0.36
ADH1A P07327 4/20 0.36
ADH7 P40394 4/20 0.36
ADH1C P00326 3/20 0.36
ADH4 P08319 2/20 0.35
EPHX1 P07099 1/20 0.35
NAMPT P43490 1/20 0.33
ACP1 P24666 6/20 0.31

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
SCHEMBL3956314 0.89 GNAI3 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5651899 0.78
SCHEMBL7357879 0.78 SLC6A1 (0.46) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3715748 0.77
SCHEMBL4136214 0.77 GNAI3 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL12524730 0.76 GNAO1 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11799788 0.76 SLC6A1 (0.48) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL6443208 0.75
SCHEMBL3024930 0.75 ADH1B (0.54) ADH1BADH1AADH7ADH1CADH4
SCHEMBL28485229 0.74 SIGMAR1 (0.53) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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 66 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 SLC6A1 2098/4885GABRA5 3834/4885GABRB2 3175/4885
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 SLC6A1 1330/4885GABRA5 3679/4885GABRB2 4537/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 SLC6A1 3249/4885GABRA5 4108/4885GABRB2 3669/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 SLC6A1 1308/4885GABRA5 2133/4885GABRB2 630/4885
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 SLC6A1 430/4885GABRA5 608/4885GABRB2 2915/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB SLC6A1 4029/4885GABRA5 3598/4885GABRB2 3156/4885
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 SLC6A1 1330/4885GABRA5 3679/4885GABRB2 4537/4885
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 SLC6A1 430/4885GABRA5 608/4885GABRB2 2915/4885

“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.