SCHEMBL2800987

SCHEMBL2800987

CC(C)(C)OC(=O)N1CCN(c2ncnc(C#C[Si](C)(C)C)c2N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.48
MAP4K4 O95819 1/20 0.47
ADK P55263 1/20 0.46
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR119 Q8TDV5 7/20 0.39
PTPN11 Q06124 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL15728505 0.82 MAP4K4 (0.61) KITMAP4K4ADKSMARCA2SMARCA4
SCHEMBL31737149 0.81 KIT (0.55) KITMAP4K4ADKSMARCA2SMARCA4
SCHEMBL655295 0.79 KIT (0.53) KITMAP4K4ADKSMARCA2SMARCA4
SCHEMBL656985 0.79 HTT (0.60) KITMAP4K4ADKSMARCA2SMARCA4
SCHEMBL20213014 0.78 KIT (0.55) KITMAP4K4ADKSMARCA2SMARCA4
SCHEMBL3885884 0.77 KIT (0.54) KITMAP4K4ADKSMARCA2SMARCA4
SCHEMBL20213304 0.76 KIT (0.53) KITMAP4K4ADKSMARCA2SMARCA4
SCHEMBL31286938 0.76 GPR119 (0.56) MAP4K4ADKGPR119PTPN11CKS1B
SCHEMBL31737885 0.76 MAP4K4 (0.58) KITMAP4K4ADKSMARCA2SMARCA4
SCHEMBL31142861 0.75 MEN1 (0.47) KITMAP4K4ADKCNR1CNR2

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 141/4885ADK 314/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885MAP4K4 141/4885ADK 314/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885MAP4K4 141/4885ADK 314/4885
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 82/4885ADK 423/4885

“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.