SCHEMBL23459488

SCHEMBL23459488

CC1(C)NC(=O)c2sc(Br)c3c2N1CCO3

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.36
PIK3CB P42338 4/20 0.35
PIK3CG P48736 4/20 0.35
CDC7 O00311 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
ROCK1 Q13464 2/20 0.35
DBF4 Q9UBU7 2/20 0.35
PIK3CA P42336 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23485526 0.76 ROCK1 (0.45) PIK3CDPIK3CBPIK3CGCDC7CCNE1
SCHEMBL30274193 0.75 CDK2 (0.58) PIK3CDPIK3CBPIK3CGCDC7CCNE1
SCHEMBL30274290 0.74 CDC7 (0.47) PIK3CDPIK3CBPIK3CGCDC7CCNE1
SCHEMBL23485673 0.73 PIK3CD (0.31) PIK3CDPIK3CBPIK3CGKDM4EMEN1
SCHEMBL23460266 0.73 PIK3CD (0.36) PIK3CDPIK3CBPIK3CGCDC7CCNE1
SCHEMBL23485296 0.73 PIK3CD (0.31) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL23485534 0.71 CDC7 (0.38) PIK3CDPIK3CBPIK3CGCDC7CCNE1
SCHEMBL23485677 0.71 CDK4 (0.39) PIK3CDPIK3CBPIK3CGCDC7CCNE1
SCHEMBL23485456 0.70 HTR2A (0.33)
SCHEMBL30274220 0.70 PIK3CD (0.34) PIK3CDPIK3CBPIK3CGCDC7CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
EP-4211140-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER Schrödinger, Inc. (US) 2023-07-19 EP disclosed
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2023-03-30 US disclosed
EP-4069369-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-10-12 EP disclosed
WO-2022055963-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. (US) 2022-03-17 WO disclosed
WO-2021113492-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2021-06-10 WO disclosed
WO-2021113492-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2021-06-10 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 (2 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-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER CDC7, BUB1B, CDK7 PIK3CD 240/4885PIK3CB 184/4885PIK3CG 388/4885
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME PLK1, DCK, CSNK1A1 PIK3CD 163/4885PIK3CB 186/4885PIK3CG 295/4885

“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.