SCHEMBL2799484

SCHEMBL2799484

CC(C)(C)OC(=O)N1CCN(c2ncnc3cc[nH]c23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.53
MAP4K4 O95819 1/20 0.52
AKT1 P31749 1/20 0.52
MAPT P10636 3/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
JAK3 P52333 2/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
GBA1 P04062 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
POLB P06746 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 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
SCHEMBL5760446 0.83 AKT1 (0.52) KITMAP4K4AKT1MAPTCKS1B
SCHEMBL28367516 0.81 KIT (0.64) KITAKT1JAK3
SCHEMBL27665968 0.81 AKT1 (0.47) KITAKT1MAPTJAK3MEN1
SCHEMBL5762899 0.81 ACHE (0.47) KITMAP4K4MAPTCKS1BSKP1
SCHEMBL30945074 0.81 KIT (0.64) KITAKT1JAK3
SCHEMBL1031242 0.80 MAPT (0.73) KITMAPTLMNATSHR
SCHEMBL31410478 0.79 KIT (0.47) KITJAK3CKS1BSKP1SKP2
SCHEMBL29208729 0.79 KIT (0.47) KITJAK3CKS1BSKP1SKP2
SCHEMBL12215173 0.79 KIT (0.64) KITMAP4K4AKT1CNR1CNR2
SCHEMBL29230295 0.78 JAK3 (0.63) KITAKT1JAK3

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 KIT 1345/4885MAP4K4 141/4885AKT1 1/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885MAP4K4 141/4885AKT1 1/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885MAP4K4 141/4885AKT1 1/4885
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 KIT 916/4885MAP4K4 82/4885AKT1 25/4885

“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.