SCHEMBL3745515

SCHEMBL3745515

Nc1ncnc2[nH]c(Sc3cc4c(cc3I)CCC4)nc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.38
HSP90AA1 P07900 4/20 0.38
ERBB2 P04626 3/20 0.38
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NUDT1 P36639 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
SCHEMBL11980452 0.98 HSP90AB1 (0.38) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL20860921 0.96 HSP90AB1 (0.37) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL19996857 0.96 HSP90AB1 (0.37) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL11980454 0.88 HSP90AA1 (0.39) HSP90AB1HSP90AA1ERBB2LMNATSHR
SCHEMBL3748288 0.85 HSP90AA1 (0.44) HSP90AB1HSP90AA1ERBB2LMNATSHR
SCHEMBL11980449 0.85 HSP90AA1 (0.39) HSP90AB1HSP90AA1ERBB2LMNATSHR
SCHEMBL20626513 0.85 ERBB2 (0.33) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL3517145 0.83 HSP90AA1 (0.42) HSP90AB1HSP90AA1ERBB2LMNATSHR
SCHEMBL1669496 0.83 HSP90AB1 (0.37) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL11980462 0.83 HSP90AA1 (0.38) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1

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 28 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
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
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-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
EP-3091019-A2 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2016-11-09 EP disclosed
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-10-27 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-20140088121-A1 HSP90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-03-27 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
WO-2011044394-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-04-14 WO disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 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 (5 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 HSP90AB1 4/4885HSP90AA1 3/4885ERBB2 4122/4885
US-20140088121-A1 HSP90 Inhibitors HSP90AB1, HSP90B1, HSP90AB2P HSP90AB1 1/4885HSP90AA1 4/4885ERBB2 17/4885
US-20120208806-A1 Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ERBB2 2315/4885
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS XDH, HSP90B1, HSP90AA1 HSP90AB1 4/4885HSP90AA1 3/4885ERBB2 4122/4885
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR HSP90AB1 501/4885HSP90AA1 659/4885ERBB2 802/4885

“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.