SCHEMBL16655254

SCHEMBL16655254

COc1ncc(-c2nn(C3CCc4ccccc43)c3ncnc(N)c23)cc1F

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.71
BTK Q06187 11/20 0.71
ATR Q13535 7/20 0.61
EGFR P00533 2/20 0.56
ABL1 P00519 1/20 0.47
HCK P08631 1/20 0.47
SRC P12931 1/20 0.47
KDR P35968 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
EPHB4 P54760 1/20 0.47
PRKDC P78527 1/20 0.47

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
SCHEMBL16655825 0.95 PIK3CD (0.64) PIK3CDBTKATREGFRABL1
SCHEMBL16665688 0.95 PIK3CD (0.64) PIK3CDBTKATREGFRABL1
SCHEMBL16655293 0.87 PIK3CD (0.72) PIK3CDBTKATR
SCHEMBL16656013 0.85 PIK3CD (0.69) PIK3CDBTKATR
SCHEMBL16655272 0.83 PIK3CD (1.00) PIK3CDBTKATREGFRABL1
SCHEMBL16655442 0.83 PIK3CD (0.72) PIK3CDBTKATREGFRABL1
SCHEMBL16655461 0.82 BTK (0.59) PIK3CDBTKEGFR
SCHEMBL16655433 0.82 PIK3CD (0.85) PIK3CDBTKATREGFRABL1
SCHEMBL16665680 0.80 PIK3CD (0.81) PIK3CDBTKATREGFRABL1
SCHEMBL16655190 0.80 PIK3CD (0.81) PIK3CDBTKATREGFRABL1

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 3 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

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.