SCHEMBL527666

SCHEMBL527666

Cc1nc(NC2CNCCC2c2ccccc2)c2cccc(C(N)=O)c2n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.62
RPS6KB1 P23443 15/20 0.56
AURKA O14965 5/20 0.46
CHEK1 O14757 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL15197018 1.00 AKT1 (0.62) AKT1RPS6KB1AURKACHEK1PARP1
SCHEMBL18597164 0.92 AKT1 (0.64) AKT1RPS6KB1AURKA
SCHEMBL15197057 0.92 AKT1 (0.64) AKT1RPS6KB1AURKA
SCHEMBL528479 0.91 AKT1 (0.51) AKT1RPS6KB1AURKA
SCHEMBL18597278 0.91 AKT1 (0.51) AKT1RPS6KB1AURKA
SCHEMBL10126296 0.91 AKT1 (0.51) AKT1RPS6KB1AURKA
SCHEMBL15197030 0.90 RPS6KB1 (0.64) AKT1RPS6KB1
SCHEMBL527909 0.90 RPS6KB1 (0.64) AKT1RPS6KB1
SCHEMBL15197065 0.89 AKT1 (0.79) AKT1RPS6KB1AURKA
SCHEMBL18597287 0.89 AKT1 (0.79) AKT1RPS6KB1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US claimed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US claimed
CN-103140484-A Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH 2013-06-05 CN claimed
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
EP-2598497-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2013-06-05 EP disclosed
CN-103140484-A Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH 2013-06-05 CN disclosed
WO-2012016001-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2012-02-02 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 (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-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA AKT1 1178/4885RPS6KB1 1117/4885AURKA 301/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA AKT1 1178/4885RPS6KB1 1117/4885AURKA 301/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA AKT1 1178/4885RPS6KB1 1117/4885AURKA 301/4885

“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.