SCHEMBL20912948

SCHEMBL20912948

NC(Cc1cccc(F)c1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC1A1 P43005 2/20 0.45
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
GNRHR P30968 2/20 0.44
DPP4 P27487 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
CASP3 P42574 3/20 0.43
ALDH1A1 P00352 1/20 0.42
ALDH3A1 P30838 1/20 0.42
MAPK1 P28482 1/20 0.40
CA1 P00915 1/20 0.40
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
EGFR P00533 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL676622 1.00 UBE2N (0.47) UBE2NTDP1SLC1A1CA2CA9
SCHEMBL676621 1.00 UBE2N (0.47) UBE2NTDP1SLC1A1CA2CA9
SCHEMBL29559650 1.00 UBE2N (0.47) UBE2NTDP1SLC1A1CA2CA9
Ammonia Solution, Strong SCHEMBL1530005 0.99 UBE2N (0.46) UBE2NTDP1SLC1A1CA2CA9
Trifluoroacetic Acid SCHEMBL10323420 0.91 GNRHR (0.48) UBE2NTDP1SLC1A1GNRHRDPP4
SCHEMBL4583448 0.89 CASP3 (0.46) UBE2NTDP1GNRHRCASP3ALDH1A1
SCHEMBL1530021 0.89 CASP3 (0.46) UBE2NTDP1GNRHRCASP3ALDH1A1
SCHEMBL30890110 0.89 CASP3 (0.46) UBE2NTDP1GNRHRCASP3ALDH1A1
SCHEMBL1530019 0.89 CASP3 (0.46) UBE2NTDP1GNRHRCASP3ALDH1A1
Hydrochloric Acid SCHEMBL1529443 0.87 CASP3 (0.44) UBE2NTDP1GNRHRCASP3ALDH1A1

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
CN-112480116-B PKB inhibitors 南京正大天晴制药有限公司 2024-03-29 CN disclosed
CN-114380841-A Tricyclic or dihydroquinazoline compounds as AKT inhibitors 南京正大天晴制药有限公司 2022-04-22 CN disclosed
CN-112480116-A PKB inhibitors 南京正大天晴制药有限公司 2021-03-12 CN disclosed
US-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-05-19 US disclosed
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2019-08-01 US disclosed
EP-3473628-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Medshine Discovery Inc. (CN) 2019-04-24 EP 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-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor AKT3, AKT2, AKT1 UBE2N 2805/4885TDP1 3476/4885SLC1A1 2182/4885
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR AKT3, AKT2, AKT1 UBE2N 2805/4885TDP1 3476/4885SLC1A1 2182/4885

“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.