SCHEMBL4583448

SCHEMBL4583448

NC(Cc1cc(F)cc(F)c1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.46
GNRHR P30968 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RPS6KA2 Q15349 1/20 0.40
HTR1A P08908 1/20 0.40
MAPK1 P28482 1/20 0.39
LTA4H P09960 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
UBE2N P61088 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 3/20 0.36

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
SCHEMBL1530019 1.00 CASP3 (0.46) CASP3GNRHRALDH1A1RPS6KA2HTR1A
SCHEMBL30890110 1.00 CASP3 (0.46) CASP3GNRHRALDH1A1RPS6KA2HTR1A
SCHEMBL1530021 1.00 CASP3 (0.46) CASP3GNRHRALDH1A1RPS6KA2HTR1A
Hydrochloric Acid SCHEMBL1529443 0.99 CASP3 (0.44) CASP3GNRHRALDH1A1RPS6KA2HTR1A
SCHEMBL676621 0.89 UBE2N (0.47) CASP3GNRHRALDH1A1MAPK1UBE2N
SCHEMBL676622 0.89 UBE2N (0.47) CASP3GNRHRALDH1A1MAPK1UBE2N
SCHEMBL20912948 0.89 UBE2N (0.47) CASP3GNRHRALDH1A1MAPK1UBE2N
SCHEMBL29559650 0.89 UBE2N (0.47) CASP3GNRHRALDH1A1MAPK1UBE2N
Ammonia Solution, Strong SCHEMBL1530005 0.87 UBE2N (0.46) CASP3GNRHRALDH1A1MAPK1UBE2N
SCHEMBL1529723 0.87 CASP3 (0.57) CASP3ALDH1A1RPS6KA2NPC1RAB9A

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
CN-112480116-B PKB inhibitors 南京正大天晴制药有限公司 2024-03-29 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
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor AKT3, AKT2, AKT1 CASP3 2070/4885GNRHR 3638/4885ALDH1A1 3338/4885
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR AKT3, AKT2, AKT1 CASP3 2070/4885GNRHR 3638/4885ALDH1A1 3338/4885

“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.