SCHEMBL22012607

SCHEMBL22012607

CN(Cc1nc(C(F)(F)F)cc2c1CN(C(=O)OC(C)(C)C)C2=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
HTR2C P28335 6/20 0.34
SLC6A4 P31645 6/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
HTR2A P28223 1/20 0.33
TACR1 P25103 1/20 0.33
MAP4K1 Q92918 1/20 0.32
CETP P11597 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22012606 0.80 SSTR4 (0.36) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL22012609 0.79 CACNA1G (0.42) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL22012611 0.77 CACNA1G (0.39) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL30543372 0.69 HSP90AA1 (0.37) PIK3CAMTORMEN1MAPTKMT2A
SCHEMBL29222584 0.69 HSP90AA1 (0.37) PIK3CAMTORMEN1MAPTKMT2A
SCHEMBL38661444 0.67 PIK3CA (0.37) PIK3CAMTORMEN1MAPTKMT2A
SCHEMBL31458950 0.67 HTR2A (0.37) HTR2CPIK3CAMTORHTR2AKMT2A
SCHEMBL31458984 0.65 CBLB (0.43) PIK3CAMTORTACR1
SCHEMBL25100256 0.65 MAP4K1 (0.36) PIK3CAMTORMAP4K1
SCHEMBL30233742 0.65 MAP4K1 (0.36) PIK3CAMTORMAP4K1

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 4 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
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
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 CACNA1G 4323/4885CACNA1B 4420/4885CACNA1C 4661/4885
US-11142525-B2 Azalactam compounds as HPK1 inhibitors CDKN1A, HIPK1, CMPK1 CACNA1G 4323/4885CACNA1B 4420/4885CACNA1C 4661/4885

“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.