SCHEMBL16655801

SCHEMBL16655801

Cc1nc2ccc(-c3nn(C4Cc5ccccc5C4)c4ncnc(N)c34)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.66
BTK Q06187 9/20 0.66
ATR Q13535 8/20 0.61
IGF1R P08069 4/20 0.57
EGFR P00533 2/20 0.56
ERBB2 P04626 2/20 0.56

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
SCHEMBL16655575 0.93 PIK3CD (0.66) PIK3CDBTKATREGFR
SCHEMBL16655710 0.83 ATR (0.78) PIK3CDBTKATREGFR
SCHEMBL16655264 0.81 PIK3CD (0.69) PIK3CDBTKATREGFR
SCHEMBL16655628 0.81 PIK3CD (0.81) PIK3CDBTKATR
SCHEMBL16655349 0.80 ATR (0.89) PIK3CDBTKATREGFR
SCHEMBL16655510 0.80 ATR (0.68) PIK3CDBTKATREGFR
SCHEMBL13201507 0.80 PIK3CD (0.65) PIK3CDEGFR
SCHEMBL16655764 0.80 PIK3CD (1.00) PIK3CDBTKATREGFR
Hydrochloric Acid SCHEMBL23908619 0.79 PIK3CD (0.98) PIK3CDBTKATREGFR
SCHEMBL16655861 0.78 PIK3CD (0.83) PIK3CDBTKATREGFR

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 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.