SCHEMBL20305251

SCHEMBL20305251

CC1(C)OB(c2ccncn2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 12/20 0.35
▸ LIPG Q9Y5X9 12/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ F11 P03951 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL20312464 0.77 HSP90AA1 (0.31) HSP90AA1
SCHEMBL708737 0.74 LPL (0.44) LPLLIPGP2RX7DGAT1
SCHEMBL29498702 0.74 LPL (0.44) LPLLIPGP2RX7DGAT1
SCHEMBL14478695 0.74 LPL (0.41) LPLLIPGDGAT1
SCHEMBL20312384 0.74 HSP90AA1 (0.38) HSP90AA1
SCHEMBL20312378 0.74 HSP90AA1 (0.38) HSP90AA1
SCHEMBL20312439 0.73 HSP90AA1 (0.34) HSP90AA1
SCHEMBL28771993 0.71 LPL (0.35) LPLLIPGF11P2RX7CA1
SCHEMBL321437 0.71 LPL (0.53) LPLLIPGF11CA1CA2
SCHEMBL15803151 0.71 LPL (0.38) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930554-A Fused ring compound and application thereof 西安瑞联新材料股份有限公司 2024-11-12 — — CN disclosed
CN-110831926-B Tetrahydronaphtyl urea derivatives 持田制药株式会社 2023-11-21 — — CN disclosed
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 — — US disclosed
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 — — US disclosed
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 — — US disclosed
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate TOKYO OHKA KOGYO CO, LTD. (JP) 2019-12-10 — — US disclosed
EP-3558998-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-10-30 — — EP disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 — — US disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 — — US disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 — — US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 — — 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 (7 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 LPL 929/4885LIPG 777/4885HSP90AA1 3808/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 LPL 929/4885LIPG 777/4885HSP90AA1 3808/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 LPL 929/4885LIPG 777/4885HSP90AA1 3808/4885
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE SLC43A1, SAMHD1, SNRPD2 LPL 4045/4885LIPG 3869/4885HSP90AA1 877/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 LPL 929/4885LIPG 777/4885HSP90AA1 3808/4885
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate SLC43A1, SAMHD1, SNRPD2 LPL 4045/4885LIPG 3869/4885HSP90AA1 877/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 LPL 929/4885LIPG 777/4885HSP90AA1 3808/4885

“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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