SCHEMBL17129337

SCHEMBL17129337

CC1(C)OB(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
DGAT1 O75907 1/20 0.52
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
FFAR1 O14842 2/20 0.46
PPARG P37231 1/20 0.46
PTPN1 P18031 1/20 0.44
MAOA P21397 2/20 0.43

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
SCHEMBL17129080 0.86 DGAT1 (0.52) DGAT1LPLLIPG
SCHEMBL31409564 0.85 MAOB (0.53) MAOBDGAT1LPLLIPGPTPN1
SCHEMBL17129613 0.85 MAOB (0.59) MAOBDGAT1FFAR1MAOA
SCHEMBL21568905 0.85 LPL (0.59) MAOBDGAT1LPLLIPG
SCHEMBL19000509 0.84 DGAT1 (0.50) DGAT1LPLLIPG
SCHEMBL19000571 0.83 DGAT1 (0.57) DGAT1LPLLIPG
SCHEMBL17129607 0.83 DGAT1 (0.56) MAOBDGAT1LPLLIPG
SCHEMBL21234416 0.83 DGAT1 (0.56) MAOBDGAT1LPLLIPG
SCHEMBL2267580 0.83 DGAT1 (0.56) MAOBDGAT1LPLLIPG
SCHEMBL805968 0.83 CA1 (0.49) LPLLIPG

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124534-B Non-nucleotide PRMT5 small molecule inhibitor, preparation method and application 中山大学 2023-09-15 CN disclosed
EP-3569602-B1 IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF DONGGUAN ZHENGXING BEITE MEDICINE TECH CO LTD (CN) 2022-11-23 EP disclosed
CN-115124534-A Non-nucleotide PRMT5 small molecule inhibitor, preparation method and application 中山大学 2022-09-30 CN disclosed
US-10919899-B2 Imidazopyrazine compounds, preparation methods and uses thereof DONGGUAN ZHENXING-BEITE MEDICINE TECHNOLOGY CO., LTD. (CN) 2021-02-16 US disclosed
EP-3569602-A1 IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Dongguan Zhengxing-Beite Medicine Technology Co., Ltd. (CN) 2019-11-20 EP disclosed
US-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-05-07 US disclosed
CN-106588937-B Imidazopyrazines and its preparation method and application 东莞市真兴贝特医药技术有限公司 2018-09-21 CN disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 US disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 US disclosed
CN-106588937-A Imidazopyrazine compound, and preparation method and application thereof 东莞市真兴贝特医药技术有限公司 2017-04-26 CN disclosed
WO-2015144799-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-01 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-10919899-B2 Imidazopyrazine compounds, preparation methods and uses thereof BTK, SYK, ABL1 MAOB 1027/4885DGAT1 4572/4885LPL 3295/4885
US-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors ROS1, NOX1, NOX5 MAOB 1222/4885DGAT1 2213/4885LPL 4314/4885
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS ROS1, NOX1, NOX5 MAOB 1222/4885DGAT1 2213/4885LPL 4314/4885

“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.