SCHEMBL3740870

SCHEMBL3740870

COc1ccc(OC(F)(F)F)c(Sc2nc3c(N)ncnc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.43
HSP90AB1 P08238 5/20 0.42
HSP90AA1 P07900 3/20 0.42
DHFR P00374 4/20 0.40
TYMS P04818 2/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
MAP4K4 O95819 1/20 0.36
HSP90B1 P14625 2/20 0.36

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
SCHEMBL1966212 0.89 ERBB2 (0.53) ERBB2HSP90AB1HSP90AA1DHFRTYMS
SCHEMBL3744472 0.83 HSP90AA1 (0.47) ERBB2HSP90AB1HSP90AA1MAP4K4HSP90B1
SCHEMBL3111577 0.82 HSP90B1 (0.50) ERBB2HSP90AB1HSP90AA1DHFRTYMS
SCHEMBL14467034 0.82 ERBB2 (0.41) ERBB2HSP90AB1HSP90AA1DHFRTYMS
SCHEMBL13079975 0.81 GAA (0.41) ERBB2HSP90AB1HSP90AA1MAP4K4
SCHEMBL3126758 0.81 HSP90AB1 (0.51) ERBB2HSP90AB1HSP90AA1MAP4K4
SCHEMBL4339904 0.81 ERBB2 (0.52) ERBB2HSP90AB1HSP90AA1MAP4K4
SCHEMBL5038825 0.81 ERBB2 (0.41) ERBB2HSP90AB1HSP90AA1DHFR
SCHEMBL3113829 0.81 SCN8A (0.38) DHFRMAP4K4
SCHEMBL3128953 0.79 ERBB2 (0.40) ERBB2HSP90AB1HSP90AA1DHFRTYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR ERBB2 802/4885HSP90AB1 501/4885HSP90AA1 659/4885

“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.