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.

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