SCHEMBL2800764

SCHEMBL2800764

Cc1nc(N2CCN(C(=O)C(Cc3ccc(Cl)cc3)NC(=O)OC(C)(C)C)CC2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.49
AKT1 P31749 4/20 0.49
AKT2 P31751 2/20 0.49
AKT3 Q9Y243 2/20 0.49
AKT1S1 Q96B36 1/20 0.49
METAP1 P53582 1/20 0.47
KMT2A Q03164 2/20 0.47
SCN9A Q15858 1/20 0.47
P2RY12 Q9H244 1/20 0.45
MAPK1 P28482 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
GBA1 P04062 2/20 0.44
P2RX7 Q99572 2/20 0.44
PABPC1 P11940 1/20 0.43

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
SCHEMBL2797556 0.93 MC4R (0.49) MC4RAKT1AKT2AKT3AKT1S1
SCHEMBL4510471 0.83 MC4R (0.56) MC4RKMT2AMAPK1HRH2HRH1
SCHEMBL6017282 0.83 AKT1 (0.67) MC4RAKT1AKT2AKT3AKT1S1
SCHEMBL13229957 0.81 AKT1 (0.72) AKT1AKT2AKT3AKT1S1
SCHEMBL2798976 0.80 AKT1 (0.69) MC4RAKT1AKT2AKT3AKT1S1
Hydrochloric Acid SCHEMBL6017793 0.80 AKT1 (0.71) AKT1AKT2AKT3AKT1S1
Hydrochloric Acid SCHEMBL2798045 0.80 AKT1 (0.71) AKT1AKT2AKT3AKT1S1
SCHEMBL2798581 0.80 MC4R (0.49) MC4RAKT1AKT2AKT3AKT1S1
SCHEMBL2800450 0.80 MC4R (0.48) MC4RAKT1AKT2AKT3AKT1S1
SCHEMBL15810045 0.80 HRH2 (0.58) MC4RKMT2AMAPK1HRH2HRH1

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 MC4R 4675/4885AKT1 1/4885AKT2 2/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MC4R 4675/4885AKT1 1/4885AKT2 2/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MC4R 4675/4885AKT1 1/4885AKT2 2/4885
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 MC4R 3848/4885AKT1 25/4885AKT2 71/4885

“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.