SCHEMBL21990479

SCHEMBL21990479

COC(=O)c1nc(Cl)cc2c1CN(C(=O)OC(C)(C)C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA6 Q16445 3/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
GABRA2 P47869 1/20 0.35
NR1H2 P55055 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ATR Q13535 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL30543372 0.84 HSP90AA1 (0.37) PIK3CAMTORGABRA1GABRG2GABRB3
SCHEMBL29222584 0.84 HSP90AA1 (0.37) PIK3CAMTORGABRA1GABRG2GABRB3
SCHEMBL22039669 0.80 HSP90AA1 (0.35) PIK3CAMTORGABRA1GABRG2GABRB3
SCHEMBL21990463 0.79 NR1H2 (0.38) PIK3CAMTORGABRA1GABRG2GABRB3
SCHEMBL30233716 0.78 MAP4K1 (0.35) PIK3CAMTORHDAC1HDAC6NR1H2
SCHEMBL21990461 0.77 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL38661328 0.75 PIK3CA (0.36) PIK3CAMTORHSP90AA1HSP90AB1
SCHEMBL22039675 0.74 UCHL1 (0.35) NR1H2HSP90AA1HSP90AB1ATRALDH1A1
SCHEMBL21847830 0.74 NR1H2 (0.34) PIK3CAMTORHDAC1HDAC6NR1H2
SCHEMBL29222791 0.73 TNK2 (0.40) PIK3CAMTORHSP90AA1HSP90AB1

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
EP-3880676-B1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER (US) 2023-08-02 EP disclosed
EP-3880676-B1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER (US) 2023-08-02 EP disclosed
US-11142525-B2 Azalactam compounds as HPK1 inhibitors PFIZER INC. (US) 2021-10-12 US disclosed
US-11142525-B2 Azalactam compounds as HPK1 inhibitors PFIZER INC. (US) 2021-10-12 US disclosed
US-20200172539-A1 Azalactam Compounds as HPK1 Inhibitors PFIZER INC. (US) 2020-06-04 US disclosed
US-20200172539-A1 Azalactam Compounds as HPK1 Inhibitors PFIZER INC. (US) 2020-06-04 US disclosed
WO-2020100027-A1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER INC. (US) 2020-05-22 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-20200172539-A1 Azalactam Compounds as HPK1 Inhibitors CDKN1A, HIPK1, CMPK1 PIK3CA 398/4885MTOR 281/4885GABRA1 4139/4885
US-11142525-B2 Azalactam compounds as HPK1 inhibitors CDKN1A, HIPK1, CMPK1 PIK3CA 398/4885MTOR 281/4885GABRA1 4139/4885

“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.