SCHEMBL2801142

SCHEMBL2801142

Cc1cncnc1N1CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.48
MC4R P32245 1/20 0.47
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2798581 0.92 MC4R (0.49) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL2797471 0.91 MC4R (0.47) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL2799151 0.91 MC4R (0.46) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL2796939 0.91 MC4R (0.46) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL2796984 0.91 AKT1 (0.48) AKT1MC4R
SCHEMBL2797314 0.90 ALDH1A1 (0.47) AKT1MC4RHRH2HRH1
SCHEMBL2800448 0.89 MC4R (0.45) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL2799280 0.88 MC4R (0.45) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL2800450 0.88 MC4R (0.48) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL2797515 0.86 KMT2A (0.47) AKT1MC4RHRH2HRH1KMT2A

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
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 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 (4 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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885MC4R 4675/4885HRH2 3845/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885MC4R 4675/4885HRH2 3845/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885MC4R 4675/4885HRH2 3845/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 AKT1 25/4885MC4R 3848/4885HRH2 2259/4885

“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.