SCHEMBL2800073

SCHEMBL2800073

CC(C)(C)OC(=O)N1CC=C(c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.65
▸ PDK4 Q16654 1/20 0.51
▸ GRM5 P41594 6/20 0.47
▸ GRM1 Q13255 6/20 0.47
▸ TNK2 Q07912 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ DGAT2 Q96PD7 1/20 0.44
▸ EED O75530 2/20 0.43
▸ RBBP4 Q09028 2/20 0.43
▸ SUZ12 Q15022 2/20 0.43
▸ EZH2 Q15910 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42
▸ SCN9A Q15858 1/20 0.42

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
SCHEMBL27644853 0.84 HTR6 (0.45) HTR6PDK4CCNT1CDK9
SCHEMBL21714219 0.81 CCNT1 (0.51) HTR6CCNT1CDK9GPR119SCN9A
SCHEMBL20919965 0.80 HTR6 (0.52) HTR6GPR119
SCHEMBL19297244 0.78 PDK4 (0.58) HTR6PDK4GRM5GRM1CNR1
SCHEMBL4318186 0.77 HTR6 (0.53) HTR6PDK4GRM5GRM1TNK2
SCHEMBL16039939 0.77 HTR6 (0.51) HTR6PDK4GRM5GRM1CCNT1
SCHEMBL38663138 0.76 PDK4 (0.55) HTR6PDK4GRM5GRM1CNR1
SCHEMBL16040944 0.75 HTR6 (0.49) HTR6PDK4GRM5GRM1TNK2
SCHEMBL4879856 0.75 HTR6 (0.56) HTR6PDK4GRM5GRM1SCN9A
SCHEMBL15622091 0.74 HTR6 (0.43) HTR6PDK4GRM5GRM1DGAT2

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 HTR6 3427/4885PDK4 813/4885GRM5 4359/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 HTR6 3427/4885PDK4 813/4885GRM5 4359/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 HTR6 3427/4885PDK4 813/4885GRM5 4359/4885
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 HTR6 3533/4885PDK4 559/4885GRM5 3871/4885

“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.

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