SCHEMBL17610258

SCHEMBL17610258

O=C(CBr)c1cc(Br)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
DGAT1 O75907 1/20 0.47
CES2 O00748 2/20 0.42
PTPN1 P18031 2/20 0.42
HPGD P15428 2/20 0.42
GALR3 O60755 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 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
SCHEMBL37082840 1.00 GSK3B (0.48) GSK3BDGAT1CES2PTPN1HPGD
SCHEMBL15900302 0.85 DGAT1 (0.47) DGAT1CES2HPGDGALR3CYP1A2
SCHEMBL29993519 0.85 DGAT1 (0.61) GSK3BDGAT1CES2PTPN1HPGD
SCHEMBL691531 0.85 DGAT1 (0.61) GSK3BDGAT1CES2PTPN1HPGD
SCHEMBL182358 0.83 DGAT1 (0.46) DGAT1CES2HPGDGALR3CYP1A2
SCHEMBL2099037 0.82 CES2 (0.61) GSK3BCES2PTPN1HPGDALDH1A1
SCHEMBL31678827 0.81 GSK3B (0.52) GSK3BCES2PTPN1HPGDALOX15
SCHEMBL3930687 0.81 GSK3B (0.52) GSK3BCES2PTPN1HPGDALOX15
SCHEMBL1145090 0.80 ALDH1A1 (0.44) DGAT1CES2HPGDGALR3CYP1A2
SCHEMBL30040752 0.80 GSK3B (0.52) GSK3BCES2PTPN1HPGDGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353163-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-02-05 EP disclosed
EP-3250575-B1 TOSYLATE SALT OF N-[3-[(4AR,7AS)-2-AMINO-6-(5-FLUOROPYRIMIDIN-2-YL)-4,4A,5,7-TETRAHYDROPYRROLO[3,4-D][1,3]THIAZIN-7A-YL]-4-FLUORO-PHENYL]-5-METHOXY-PYRAZINE-2-CARBOXAMIDE. LILLY CO ELI (US) 2019-11-20 EP disclosed
EP-3250575-B1 TOSYLATE SALT OF N-[3-[(4AR,7AS)-2-AMINO-6-(5-FLUOROPYRIMIDIN-2-YL)-4,4A,5,7-TETRAHYDROPYRROLO[3,4-D][1,3]THIAZIN-7A-YL]-4-FLUORO-PHENYL]-5-METHOXY-PYRAZINE-2-CARBOXAMIDE. LILLY CO ELI (US) 2019-11-20 EP disclosed
EP-3194408-B1 A TETRAHYDROPYRROLO[3,4-D][1,3]THIAZINE-DERIVATIVE AS BACE INHIBITOR LILLY CO ELI (US) 2019-04-17 EP disclosed
EP-3194408-B1 A TETRAHYDROPYRROLO[3,4-D][1,3]THIAZINE-DERIVATIVE AS BACE INHIBITOR LILLY CO ELI (US) 2019-04-17 EP disclosed
US-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-11-22 US disclosed
US-10080758-B2 Tosylate salt of N-[3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a-yl]-4-fluoro-phenyl]-5-methoxy-pyrazine-2-carboxamide ELI LILLY AND COMPANY (US) 2018-09-25 US disclosed
EP-3353163-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2018-08-01 EP disclosed
US-9999624-B2 Combination Alzheimer therapy using anti-N3pGlu Abeta antibodies + a BACE inhibitor ELI LILLY AND COMPANY (US) 2018-06-19 US disclosed
US-9999624-B2 Combination Alzheimer therapy using anti-N3pGlu Abeta antibodies + a BACE inhibitor ELI LILLY AND COMPANY (US) 2018-06-19 US disclosed
US-20170224702-A1 COMBINATION ALZHEIMER THERAPY USING ANTI-N3PGLU ABETA ANTIBODIES + A BACE INHIBITOR ELI LILLY AND COMPANY (US) 2017-08-10 US disclosed
US-20170224702-A1 COMBINATION ALZHEIMER THERAPY USING ANTI-N3PGLU ABETA ANTIBODIES + A BACE INHIBITOR ELI LILLY AND COMPANY (US) 2017-08-10 US disclosed
US-20170224702-A1 COMBINATION ALZHEIMER THERAPY USING ANTI-N3PGLU ABETA ANTIBODIES + A BACE INHIBITOR ELI LILLY AND COMPANY (US) 2017-08-10 US disclosed
EP-3193882-A1 COMBINATION ALZHEIMER THERAPY USING ANTI-N3PGLU ABETA ANTIBODIES + A BACE INHIBITOR Eli Lilly and Company (US) 2017-07-26 EP disclosed
WO-2017050978-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 WO disclosed
WO-2016122968-A1 TOSYLATE SALT OF N-[3-[(4AR,7AS)-2-AMINO-6-(5-FLUOROPYRIMIDIN-2-YL)-4,4A,5,7-TETRAHYDROPYRROLO[3,4-D][1,3]THIAZIN-7A-YL]-4-FLUORO-PHENYL]-5-METHOXY-PYRAZINE-2-CARBOXAMIDE ELI LILLY AND COMPANY (US) 2016-08-04 WO disclosed
WO-2016122968-A1 TOSYLATE SALT OF N-[3-[(4AR,7AS)-2-AMINO-6-(5-FLUOROPYRIMIDIN-2-YL)-4,4A,5,7-TETRAHYDROPYRROLO[3,4-D][1,3]THIAZIN-7A-YL]-4-FLUORO-PHENYL]-5-METHOXY-PYRAZINE-2-CARBOXAMIDE ELI LILLY AND COMPANY (US) 2016-08-04 WO disclosed
WO-2016043997-A1 COMBINATION ALZHEIMER THERAPY USING ANTI-N3PGLU ABETA ANTIBODIES + A BACE INHIBITOR ELI LILLY AND COMPANY (US) 2016-03-24 WO disclosed
WO-2016043997-A1 COMBINATION ALZHEIMER THERAPY USING ANTI-N3PGLU ABETA ANTIBODIES + A BACE INHIBITOR ELI LILLY AND COMPANY (US) 2016-03-24 WO disclosed
WO-2016043996-A1 A TETRAHYDROPYRROLO[3,4-D][1,3]THIAZINE-DERIVATIVE AS BACE INHIBITOR ELI LILLY AND COMPANY (US) 2016-03-24 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 (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-20170224702-A1 COMBINATION ALZHEIMER THERAPY USING ANTI-N3PGLU ABETA ANTIBODIES + A BACE INHIBITOR BACE1, BACE2, PSEN1 GSK3B 456/4885DGAT1 2344/4885CES2 3134/4885
US-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES BACE1, BACE2, APP GSK3B 90/4885DGAT1 2040/4885CES2 1559/4885
US-10080758-B2 Tosylate salt of N-[3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a-yl]-4-fluoro-phenyl]-5-methoxy-pyrazine-2-carboxamide NT5C, ABL1, NT5M GSK3B 4254/4885DGAT1 4272/4885CES2 2140/4885

“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.