SCHEMBL14213883

SCHEMBL14213883

C#CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 1.00
HSP90AB1 P08238 17/20 1.00
ERBB2 P04626 4/20 1.00
HSP90B1 P14625 3/20 0.52
TRAP1 Q12931 1/20 0.49

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
SCHEMBL1857140 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL3119489 0.84 HSP90AA1 (0.74) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL3116778 0.84 HSP90AA1 (0.73) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL2604977 0.83 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL1966947 0.82 ERBB2 (0.82) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL10149974 0.78 HSP90AA1 (0.87) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL1963368 0.78 ERBB2 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL4854328 0.77 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2
SCHEMBL23819778 0.77 HSP90AA1 (0.81) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL1864541 0.75 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125446-A1 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2008-05-29 US disclosed
US-7241890-B2 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-10 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 (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-20080125446-A1 Purine analogs having HSP90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885ERBB2 3334/4885

“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.