SCHEMBL1669303

SCHEMBL1669303

Nc1ncnc2[nH]c(Sc3ccc4c(c3)OCC4)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PI4KB Q9UBF8 2/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
HSP90AA1 P07900 4/20 0.33
HSP90AB1 P08238 4/20 0.33

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
SCHEMBL3122647 0.91 PIK3CD (0.41) ATG7LMNATSHRPI4KBPIK3CD
SCHEMBL17781994 0.87 PTGIR (0.41) ATG7LMNATSHRPI4KBPIK3CD
SCHEMBL1672082 0.83 HSP90AA1 (0.38) LMNATSHRPRMT5WDR77PI4KB
SCHEMBL3115737 0.82 PIK3CD (0.44) ATG7LMNATSHRPIK3CDABL1
SCHEMBL1669496 0.81 HSP90AB1 (0.37) HSP90AA1HSP90AB1ERBB2
SCHEMBL11909370 0.81 HSP90AB1 (0.37) HSP90AA1HSP90AB1ERBB2
SCHEMBL11980448 0.78 HSP90AA1 (0.39) LMNATSHRPI4KBPIK3CDABL1
SCHEMBL3118510 0.77 TYMS (0.38) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL3117415 0.75 LMNA (0.38) LMNATSHRPI4KBPIK3CAHSP90AA1
SCHEMBL13845784 0.74 PIK3CG (0.47) LMNATSHRPI4KBPIK3CGHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP disclosed
EP-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP disclosed
CN-103582642-B HSP90 inhibitor 索隆-基特林癌症研究协会 2021-05-11 CN disclosed
CN-106083855-B Purine derivatives useful as Hsp90 inhibitors 斯隆-凯特林癌症研究院 2020-04-10 CN disclosed
EP-3091019-B1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2019-04-03 EP disclosed
EP-3091019-B1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2019-04-03 EP disclosed
US-10172863-B2 Purine derivatives useful as HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2019-01-08 US disclosed
US-10172863-B2 Purine derivatives useful as HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2019-01-08 US disclosed
US-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
US-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 US disclosed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 US disclosed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 US disclosed
US-20140088121-A1 HSP90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-03-27 US disclosed
WO-2012138894-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-10-11 WO disclosed
US-20120208806-A1 Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-08-16 US disclosed
US-20120208806-A1 Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-08-16 US disclosed
US-20120208806-A1 Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-08-16 US disclosed
EP-2486039-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2012-08-15 EP disclosed
WO-2011044394-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-04-14 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-10172863-B2 Purine derivatives useful as HSP90 inhibitors XDH, HSP90B1, HSP90AA1 ATG7 3451/4885LMNA 3114/4885TSHR 3525/4885
US-20140088121-A1 HSP90 Inhibitors HSP90AB1, HSP90B1, HSP90AB2P ATG7 3839/4885LMNA 4097/4885TSHR 1054/4885
US-20120208806-A1 Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P ATG7 2090/4885LMNA 3951/4885TSHR 3965/4885

“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.