SCHEMBL2796064

SCHEMBL2796064

CC(C)(C)OC(=O)N1CCN(c2ncnc3c2CCCN3)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.49
AKT1S1 Q96B36 7/20 0.45
MAP4K4 O95819 1/20 0.43
GPR119 Q8TDV5 5/20 0.41
GBA1 P04062 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.40
GRIA1 P42261 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL21935475 0.83 DDB1 (0.44) KITAKT1S1MAP4K4GPR119POLB
SCHEMBL21786285 0.83 KIT (0.48) KITMAP4K4GPR119CNR1CNR2
SCHEMBL22307571 0.82 AKT1 (0.54) KITMAP4K4GPR119CNR1CNR2
SCHEMBL8340940 0.81 GBA1 (0.41) KITGBA1CNR1CNR2POLB
SCHEMBL2797835 0.81 KIT (0.48) KITMAP4K4GPR119CNR1CNR2
SCHEMBL2797832 0.81 KIT (0.48) KITMAP4K4GPR119CNR1CNR2
SCHEMBL23979654 0.80 GBA1 (0.39) KITGPR119GBA1GRIA1CKS1B
SCHEMBL30333389 0.78 KIT (0.49) KITMAP4K4GPR119GBA1CNR1
SCHEMBL31029604 0.78 KIT (0.49) KITMAP4K4GPR119GBA1CNR1
SCHEMBL29697503 0.78 KIT (0.49) KITMAP4K4GPR119GBA1CNR1

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 1345/4885AKT1S1 5/4885MAP4K4 141/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885AKT1S1 5/4885MAP4K4 141/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885AKT1S1 5/4885MAP4K4 141/4885
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 916/4885AKT1S1 46/4885MAP4K4 82/4885

“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.