SCHEMBL29829351

SCHEMBL29829351

CC(C)c1ccccc1-n1c(=O)[nH]c2cnc(-c3cnc4[nH]ccc4c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 17/20 0.44
▸ KDM5B Q9UGL1 1/20 0.41
▸ CDK8 P49336 2/20 0.40
▸ AXL P30530 1/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ DCLK1 O15075 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ FES P07332 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FER P16591 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MARK3 P27448 1/20 0.39

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
SCHEMBL15205787 1.00 USP1 (0.44) USP1KDM5BCDK8AXLPLK4
SCHEMBL15206291 0.83 USP1 (0.44) USP1
SCHEMBL300956 0.82 KDM4E (0.50) CDK8CDK7CSNK2A1
SCHEMBL15206267 0.80 USP1 (0.49) USP1
SCHEMBL15206904 0.79 USP1 (0.44) USP1KDM5B
SCHEMBL15206364 0.79 USP1 (0.48) USP1
SCHEMBL15206365 0.76 USP1 (0.47) USP1
SCHEMBL4224441 0.74 USP1 (0.47) USP1
SCHEMBL1565997 0.69 CDK8 (0.56) CDK8AXLPLK4DCLK1ROCK2
SCHEMBL300864 0.69 KDM4E (0.53) CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2022-09-01 — — 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-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR USP1 1208/4885KDM5B 2642/4885CDK8 164/4885

“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.

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