SCHEMBL342946

SCHEMBL342946

CC(C)(C)OC(=O)N1CCC(n2ncc3cnc(Cl)nc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.55
GPR119 Q8TDV5 4/20 0.51
CYP3A4 P08684 2/20 0.49
PIK3CA P42336 4/20 0.47
MTOR P42345 4/20 0.47
PIK3CG P48736 3/20 0.47
ATR Q13535 2/20 0.47
AURKB Q96GD4 1/20 0.47
CYP2C9 P11712 1/20 0.45
EZH2 Q15910 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
STS P08842 1/20 0.42

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
SCHEMBL27156505 0.86 NR3C1 (0.43) NR3C1GPR119CYP3A4
SCHEMBL25113707 0.84 NR3C1 (0.55) NR3C1GPR119CYP3A4PIK3CAMTOR
SCHEMBL1128398 0.83 NR3C1 (0.57) NR3C1GPR119CYP3A4PIK3CAMTOR
SCHEMBL27156380 0.81 JAK1 (0.44) NR3C1PIK3CAMTORKMT2A
SCHEMBL27156822 0.81 JAK1 (0.44) NR3C1PIK3CAMTORKMT2A
SCHEMBL31001071 0.81 NR3C1 (0.55) NR3C1GPR119CYP3A4PIK3CAMTOR
SCHEMBL2587928 0.80 AURKA (0.49) NR3C1GPR119CYP3A4AURKB
SCHEMBL1128265 0.79 CYP3A4 (0.62) NR3C1GPR119CYP3A4PIK3CAMTOR
SCHEMBL1128374 0.78 PIK3CA (0.56) NR3C1GPR119CYP3A4PIK3CAMTOR
SCHEMBL23452615 0.78 HCAR1 (0.44) NR3C1GPR119CYP3A4DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 US disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US 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 (3 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 NR3C1 642/4885GPR119 1610/4885CYP3A4 1013/4885
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK NR3C1 2360/4885GPR119 2456/4885CYP3A4 3171/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK NR3C1 2360/4885GPR119 2456/4885CYP3A4 3171/4885

“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.