SCHEMBL16655342

SCHEMBL16655342

Nc1ncnc2c1c(-c1cc(O)cc(OC(F)(F)F)c1)nn2C1Cc2ccccc2C1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.73
BTK Q06187 13/20 0.73
ATR Q13535 5/20 0.60
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
HCK P08631 1/20 0.54
SRC P12931 1/20 0.54
KDR P35968 1/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
MTOR P42345 1/20 0.54
PIK3CG P48736 1/20 0.54
EPHB4 P54760 1/20 0.54
PRKDC P78527 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
ITK Q08881 1/20 0.51

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
SCHEMBL16655498 0.85 PIK3CD (1.00) PIK3CDBTKATRABL1EGFR
SCHEMBL16655314 0.85 PIK3CD (0.69) PIK3CDBTKATRABL1EGFR
SCHEMBL16655166 0.83 PIK3CD (1.00) PIK3CDBTKATRABL1EGFR
SCHEMBL16655281 0.81 PIK3CD (0.76) PIK3CDBTKATRABL1EGFR
SCHEMBL16655916 0.80 PIK3CD (0.74) PIK3CDBTKATRABL1EGFR
SCHEMBL16655631 0.79 PIK3CD (0.72) PIK3CDBTKATR
SCHEMBL16665800 0.79 PIK3CD (1.00) PIK3CDBTKATRABL1EGFR
SCHEMBL16665744 0.79 PIK3CD (0.79) PIK3CDBTKATRABL1EGFR
SCHEMBL16655409 0.79 PIK3CD (1.00) PIK3CDBTKATRABL1EGFR
SCHEMBL16655283 0.79 PIK3CD (0.79) PIK3CDBTKATRABL1EGFR

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 8 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
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
EP-3057422-A1 QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica NV (BE) 2016-08-24 EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed
WO-2015057626-A1 QUINOLINYL MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 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 PIK3CD 2/4885BTK 1/4885ATR 680/4885

“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.