SCHEMBL17717344

SCHEMBL17717344

Cc1c(-c2cccc(-c3nncc4c3CCCC(O)CC4)c2)c(=O)oc2cc3c(cc12)CCCN3

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ AR P10275 1/20 0.33
▸ NUDT1 P36639 2/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ AXL P30530 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 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
SCHEMBL17717163 0.89 ATM (0.41) ATMARNUDT1ERAP1
SCHEMBL17716540 0.84 ERAP1 (0.37) ERAP1
SCHEMBL17716537 0.80 MCL1 (0.38) ATM
SCHEMBL17717413 0.79 ATM (0.47) ATMARERAP1
SCHEMBL17716542 0.79 — —
SCHEMBL17717150 0.76 ATM (0.48) ATMARERAP1
SCHEMBL17717149 0.74 ATM (0.57) ATMARERAP1
SCHEMBL17717370 0.72 ATM (0.50) ATMARERAP1
SCHEMBL17716539 0.71 ERAP1 (0.38) ERAP1
SCHEMBL17716538 0.69 MCL1 (0.39) ATM

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-20200188535-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION 2020-06-18 — — US disclosed
US-20160121002-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION (US) 2016-05-05 — — 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-20160121002-A1 Bioorthogonal Turn-on Probes MPI, TIPRL, BAZ1A ATM 3905/4885AR 3741/4885NUDT1 3129/4885
US-20200188535-A1 Bioorthogonal Turn-on Probes ZYX, MPI, BAZ1A ATM 3957/4885AR 3709/4885NUDT1 2935/4885

“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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