SCHEMBL2799231

SCHEMBL2799231

Cc1ccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.55
▸ MAP4K4 O95819 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ CKS1B P61024 2/20 0.45
▸ SKP1 P63208 2/20 0.45
▸ SKP2 Q13309 2/20 0.45
▸ GBA1 P04062 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GPR119 Q8TDV5 4/20 0.43
▸ GRIA1 P42261 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TLR9 Q9NR96 2/20 0.42
▸ ACHE P22303 1/20 0.41
▸ TLR7 Q9NYK1 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
SCHEMBL2801008 0.83 KIT (0.59) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL27644969 0.82 KIT (0.37) KITCNR1CNR2MAPTKMT2A
SCHEMBL7656799 0.79 KIT (0.57) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL12215173 0.78 KIT (0.64) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL21196222 0.77 KIT (0.52) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL23932490 0.77 KIT (0.54) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL2272116 0.77 KIT (0.62) KITMAPTLMNA
SCHEMBL2916238 0.76 KIT (0.62) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL30902159 0.76 KIT (0.57) KITMAP4K4GBA1ALDH1A1ACHE
SCHEMBL31651998 0.76 SMPD3 (0.53) MAP4K4CKS1BSKP1SKP2GBA1

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 141/4885CNR1 2126/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885MAP4K4 141/4885CNR1 2126/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885MAP4K4 141/4885CNR1 2126/4885
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 82/4885CNR1 1412/4885

“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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