SCHEMBL16655510

SCHEMBL16655510

Nc1ncnc2c1c(-c1ccc3[nH]cnc3c1)nn2C1Cc2ccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.68
PIK3CD O00329 12/20 0.64
BTK Q06187 11/20 0.64
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
HCK P08631 1/20 0.55
SRC P12931 1/20 0.55
KDR P35968 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
MTOR P42345 1/20 0.55
PIK3CG P48736 1/20 0.55
EPHB4 P54760 1/20 0.55
PRKDC P78527 1/20 0.55
PI4KB Q9UBF8 1/20 0.55

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
SCHEMBL16655267 0.95 ATR (0.76) ATRPIK3CDBTKABL1EGFR
SCHEMBL16655349 0.84 ATR (0.89) ATRPIK3CDBTKABL1EGFR
SCHEMBL16655575 0.84 PIK3CD (0.66) ATRPIK3CDBTKABL1EGFR
SCHEMBL16655264 0.84 PIK3CD (0.69) ATRPIK3CDBTKABL1EGFR
SCHEMBL16655710 0.83 ATR (0.78) ATRPIK3CDBTKABL1EGFR
SCHEMBL16655617 0.82 ATR (0.47) ATRPIK3CDBTK
SCHEMBL16655861 0.81 PIK3CD (0.83) ATRPIK3CDBTKABL1EGFR
SCHEMBL16655361 0.81 PIK3CD (0.83) ATRPIK3CDBTKABL1EGFR
SCHEMBL16655501 0.80 PIK3CD (0.69) ATRPIK3CDBTKPIK3CAPIK3CB
SCHEMBL16655801 0.80 PIK3CD (0.66) 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 6 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
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

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.