SCHEMBL16655275

SCHEMBL16655275

Nc1ncnc2c1c(-c1ccc(CO)cc1)nn2C1CCc2ccccc2C1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.72
PIK3CD O00329 11/20 0.67
BTK Q06187 10/20 0.67
ITK Q08881 1/20 0.56
EGFR P00533 1/20 0.53

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
SCHEMBL16655577 0.93 BTK (0.67) ATRPIK3CDBTKITKEGFR
SCHEMBL23908605 0.90 PIK3CD (0.67) ATRPIK3CDBTKEGFR
SCHEMBL16655615 0.89 ATR (0.76) ATRPIK3CDBTKEGFR
SCHEMBL16655347 0.87 ATR (0.76) ATRPIK3CDBTK
SCHEMBL16665780 0.86 PIK3CD (0.69) ATRPIK3CDBTKEGFR
SCHEMBL16656036 0.86 PIK3CD (0.69) ATRPIK3CDBTKEGFR
SCHEMBL16655968 0.86 ATR (0.74) ATRPIK3CDBTK
SCHEMBL16655658 0.85 ATR (0.71) ATRPIK3CDBTK
SCHEMBL16655246 0.85 PIK3CD (0.75) ATRPIK3CDBTKEGFR
SCHEMBL16655730 0.85 ATR (0.70) ATRPIK3CDBTKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US claimed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP claimed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO claimed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB ATR 680/4885PIK3CD 2/4885BTK 1/4885

“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.