SCHEMBL2801008

SCHEMBL2801008

CC(C)(C)OC(=O)N1CCN(c2ncnc3ncccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.59
▸ POLB P06746 1/20 0.52
▸ GBA1 P04062 2/20 0.52
▸ DTYMK P23919 1/20 0.50
▸ GPR119 Q8TDV5 5/20 0.48
▸ MAP4K4 O95819 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46
▸ ACHE P22303 2/20 0.46
▸ TRPA1 O75762 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43

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
SCHEMBL30456119 0.87 KIT (0.49) KITPOLBDTYMKGPR119ALDH1A1
SCHEMBL12215173 0.83 KIT (0.64) KITGBA1MAP4K4CNR1CNR2
SCHEMBL27880075 0.83 FNTA (0.48) KITDTYMKALDH1A1LMNA
SCHEMBL2209257 0.83 POLB (0.55) KITPOLBGBA1DTYMKGPR119
SCHEMBL2799231 0.83 KIT (0.55) KITGBA1GPR119MAP4K4CNR1
SCHEMBL20223124 0.82 MAP4K4 (0.58) KITPOLBGBA1DTYMKGPR119
SCHEMBL7656799 0.80 KIT (0.57) KITPOLBGBA1GPR119MAP4K4
SCHEMBL19805187 0.80 PIK3CA (0.59) KITPOLBGBA1DTYMKGPR119
SCHEMBL21196136 0.80 KIT (0.57) KITPOLBGBA1DTYMKMAP4K4
SCHEMBL5237116 0.80 KIT (0.59) KITGBA1MAP4K4CNR1CNR2

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 9 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
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 — — US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 — — EP 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 1345/4885POLB 1613/4885GBA1 2896/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885POLB 1613/4885GBA1 2896/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KIT 1345/4885POLB 1613/4885GBA1 2896/4885
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 916/4885POLB 1836/4885GBA1 4336/4885

“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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