SCHEMBL2799673

SCHEMBL2799673

CC(C)(C)OC(=O)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
PDGFRB P09619 8/20 0.59
KIT P10721 3/20 0.55
PDGFRA P16234 1/20 0.55
FLT3 P36888 1/20 0.55
ACHE P22303 2/20 0.52
BACE1 P56817 2/20 0.52
MAP4K4 O95819 1/20 0.49
MTNR1B P49286 2/20 0.47
MET P08581 1/20 0.46
EIF2AK2 P19525 1/20 0.45

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
SCHEMBL7474800 0.84 ALDH1A1 (0.60) ALDH1A1LMNAMAPTPDGFRBMAP4K4
SCHEMBL2798395 0.83 HTT (0.61) ALDH1A1PDGFRBKITPDGFRAFLT3
SCHEMBL2794112 0.83 KIT (0.59) PDGFRBKITPDGFRAACHEBACE1
SCHEMBL30902259 0.83 HTT (0.61) ALDH1A1PDGFRBKITPDGFRAFLT3
SCHEMBL16637216 0.82 KIT (0.49) ALDH1A1LMNAMAPTPDGFRBKIT
SCHEMBL7481750 0.82 MAPT (0.57) ALDH1A1LMNAMAPTPDGFRBACHE
SCHEMBL29765653 0.82 KIT (0.49) ALDH1A1LMNAMAPTPDGFRBKIT
SCHEMBL2922036 0.82 PDGFRB (0.59) ALDH1A1LMNAMAPTPDGFRBKIT
SCHEMBL12215173 0.80 KIT (0.64) LMNAPDGFRBKITMAP4K4
SCHEMBL6178429 0.80 EIF2AK2 (0.64) ALDH1A1LMNAPDGFRBACHEBACE1

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 8 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
CN-1882347-A AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2006-12-20 CN 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 ALDH1A1 3849/4885LMNA 1430/4885MAPT 3331/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 ALDH1A1 3849/4885LMNA 1430/4885MAPT 3331/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 ALDH1A1 3849/4885LMNA 1430/4885MAPT 3331/4885
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 ALDH1A1 3868/4885LMNA 1761/4885MAPT 3207/4885

“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.