SCHEMBL2797832

SCHEMBL2797832

C[C@H]1CCc2c(ncnc2N2CCN(C(=O)OC(C)(C)C)CC2)N1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.48
GPR119 Q8TDV5 9/20 0.42
MAP4K4 O95819 1/20 0.41
DDB1 Q16531 4/20 0.41
CRBN Q96SW2 4/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL2797835 1.00 KIT (0.48) KITGPR119MAP4K4DDB1CRBN
SCHEMBL2796064 0.81 KIT (0.49) KITGPR119MAP4K4CNR1CNR2
SCHEMBL22307571 0.81 AKT1 (0.54) KITGPR119MAP4K4DDB1CRBN
SCHEMBL191532 0.79 KIT (0.48) KITGPR119MAP4K4DDB1CRBN
SCHEMBL21782891 0.79 KIT (0.48) KITGPR119MAP4K4DDB1CRBN
SCHEMBL22308708 0.79 AKT1 (0.56) KITGPR119MAP4K4DDB1CRBN
SCHEMBL2798957 0.77 KIT (0.50) KITGPR119MAP4K4CNR1CNR2
SCHEMBL15589813 0.77 AKT1 (0.46)
SCHEMBL15589814 0.77 AKT1 (0.46)
SCHEMBL191269 0.76 KIT (0.45) KITGPR119MAP4K4DDB1CRBN

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 5 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
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

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 1345/4885GPR119 1669/4885MAP4K4 141/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885GPR119 1669/4885MAP4K4 141/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885GPR119 1669/4885MAP4K4 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 916/4885GPR119 3084/4885MAP4K4 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.