SCHEMBL17897894

SCHEMBL17897894

C/C=C/Cn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 14/20 0.70
▸ HSP90AB1 P08238 14/20 0.70
▸ ERBB2 P04626 5/20 0.70
▸ MEN1 O00255 1/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ DHFR P00374 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2604975 0.82 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2
SCHEMBL14456059 0.81 HSP90AA1 (0.72) HSP90AA1HSP90AB1ERBB2MEN1SLC22A1
SCHEMBL17900222 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1ERBB2MEN1SLC22A1
SCHEMBL10149976 0.77 HSP90AA1 (0.89) HSP90AA1HSP90AB1ERBB2
SCHEMBL17897955 0.75 HSP90AA1 (0.61) HSP90AA1HSP90AB1ERBB2MEN1SLC22A1
SCHEMBL17900416 0.75 HSP90AA1 (0.67) HSP90AA1HSP90AB1ERBB2MEN1SLC22A1
SCHEMBL1964163 0.74 HSP90AA1 (0.86) HSP90AA1HSP90AB1ERBB2
SCHEMBL14044861 0.73 HSP90AA1 (0.83) HSP90AA1HSP90AB1ERBB2
SCHEMBL17897956 0.70 HSP90AA1 (0.60) HSP90AA1HSP90AB1ERBB2
SCHEMBL4855740 0.69 HSP90AA1 (0.74) HSP90AA1HSP90AB1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260143662-A1 SEMICONDUCTOR STRUCTURE AND METHOD OF FORMING THEREOF TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2026-05-21 — — US disclosed
US-12600725-B2 Selective GRP94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2026-04-14 — — US disclosed
US-20260082532-A1 SEMICONDUCTOR STRUCTURE AND METHOD FOR FORMING THE SAME TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2026-03-19 — — US disclosed
US-20250374504-A1 SEMICONDUCTOR STRUCTURE AND FORMING METHOD THEREOF TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2025-12-04 — — US disclosed
US-20250358997-A1 MEMORY DEVICE TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2025-11-20 — — US disclosed
CN-119907742-A Easy-to-adhere polyester film 东洋纺株式会社 2025-04-29 — — CN disclosed
EP-3532545-B2 POLYURETHANE RESIN FOR INK JET INK AGFA NV (BE) 2025-03-12 — — EP disclosed
US-20250056784-A1 MEMORY DEVICE TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2025-02-13 — — US disclosed
CN-119371628-A Acetal structure-containing acid enzyme-controllable degradable polyurethane and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2025-01-28 — — CN disclosed
CN-119192522-A Multifunctional synergistic antifouling degradable polyurethane resin and preparation method and application thereof 华南理工大学 2024-12-27 — — CN disclosed
CN-110177818-B Polyurethane-based adhesive dispersions 惠普发展公司,有限责任合伙企业 2022-04-08 — — CN disclosed
EP-3532545-B1 POLYURETHANE RESIN FOR INK JET INK AGFA NV (BE) 2022-03-16 — — EP disclosed
US-20220073773-A1 FLUID SET HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2022-03-10 — — US disclosed
US-11267816-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-03-08 — — US disclosed
CN-113444220-B Isosorbide-based antibacterial self-healing polyurethane and preparation method and application thereof 宁波昌亚新材料科技股份有限公司 2022-03-04 — — CN disclosed
CN-111072973-B Phosphorus-containing POSS, preparation method thereof and application thereof in flame retardant 杭州师范大学 2022-02-01 — — CN disclosed
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2020-04-02 — — US disclosed
US-10421758-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-09-24 — — US disclosed
US-20160194328-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2016-07-07 — — US disclosed
US-20160194328-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2016-07-07 — — US 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-20160194328-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885
US-20260082532-A1 SEMICONDUCTOR STRUCTURE AND METHOD FOR FORMING THE SAME CTCF, LCK, ORAI2 HSP90AA1 4656/4885HSP90AB1 4695/4885ERBB2 398/4885
US-20260143662-A1 SEMICONDUCTOR STRUCTURE AND METHOD OF FORMING THEREOF CD47, EPCAM, SMC2 HSP90AA1 4865/4885HSP90AB1 4867/4885ERBB2 951/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HSP90AA1 14/4885HSP90AB1 8/4885ERBB2 402/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885

“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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