SCHEMBL21286635

SCHEMBL21286635

N[C@H]1CC[C@@H](NC2=CC(N3CCOCC3)=CC3NCCCCCCCCCC23)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.33
ALOX5 P09917 2/20 0.32
CTSK P43235 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
SCHEMBL20216503 1.00 FLT3 (0.33) FLT3ALOX5CTSK
SCHEMBL21397758 1.00 FLT3 (0.33) FLT3ALOX5CTSK
SCHEMBL20259470 1.00 FLT3 (0.33) FLT3ALOX5CTSK
SCHEMBL21187951 1.00 FLT3 (0.33) FLT3ALOX5CTSK
SCHEMBL16135305 0.99 FLT3 (0.33) FLT3ALOX5
SCHEMBL21397672 0.90 ALOX5 (0.32) ALOX5
SCHEMBL20259471 0.90 ALOX5 (0.32) ALOX5
SCHEMBL21286634 0.90 ALOX5 (0.32) ALOX5
SCHEMBL23219459 0.76 ALDH1A1 (0.32)
SCHEMBL21187793 0.76 ALDH1A1 (0.32)

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-10786512-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-29 US disclosed
US-20190255062-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-22 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-20190255062-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK FLT3 1312/4885ALOX5 4695/4885CTSK 369/4885
US-10786512-B2 DNA-PK inhibitors POLK, DTYMK, DCK FLT3 1312/4885ALOX5 4695/4885CTSK 369/4885

“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.