SCHEMBL21644538

SCHEMBL21644538

CC(C)c1cc(C(=O)Nc2cnc3[nH]ccc3c2)c(O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.52
PIK3CA P42336 3/20 0.50
MTOR P42345 3/20 0.50
BRAF P15056 14/20 0.48
TNIK Q9UKE5 1/20 0.43
KDR P35968 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
SCHEMBL21644601 0.84 BRAF (0.45) KITBRAF
SCHEMBL21644717 0.81 NPC1 (0.53)
SCHEMBL21644539 0.81 TMPRSS4 (0.63) KDR
SCHEMBL30779594 0.79 ESR1 (0.51)
SCHEMBL21644600 0.79 ESR1 (0.51)
SCHEMBL21644666 0.78 CHRNA7 (0.42)
SCHEMBL21644704 0.76 MALT1 (0.44)
SCHEMBL30779647 0.76 SGMS2 (0.46) KITPIK3CAMTORBRAFTNIK
SCHEMBL21644636 0.75 NPC1 (0.57)
SCHEMBL16150269 0.74 KIT (0.56) KITPIK3CAMTORBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 US disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 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 (2 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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 KIT 2483/4885PIK3CA 1794/4885MTOR 154/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 KIT 2483/4885PIK3CA 1794/4885MTOR 154/4885

“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.