SCHEMBL2797283

SCHEMBL2797283

CCOC(=O)C1CCN(c2ncnc3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.68
SMN1; SMN2 Q16637 6/20 0.66
TSHR P16473 3/20 0.66
MAPT P10636 12/20 0.65
ALDH1A1 P00352 7/20 0.65
KMT2A Q03164 4/20 0.63
POLB P06746 2/20 0.63
KDM4E B2RXH2 9/20 0.62
TP53 P04637 2/20 0.62
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 3/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 3/20 0.56
GAA P10253 2/20 0.56
HSD17B10 Q99714 3/20 0.55
ALOX12 P18054 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
MALT1 Q9UDY8 1/20 0.53
USP2 O75604 1/20 0.53

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
SCHEMBL31065683 0.87 NPSR1 (0.68) MAPK1SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL2882110 0.83 MAPK1 (0.67) MAPK1SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL19816119 0.82 MAPK1 (0.58) MAPK1SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL6186988 0.81 MAPT (0.57) MAPK1SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL2795640 0.81 LMNA (0.64) SMN1; SMN2TSHRALDH1A1KDM4ELMNA
SCHEMBL1084138 0.81 MAPT (0.86) MAPK1SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL3959235 0.80 LCK (0.61) MAPK1SMN1; SMN2TSHRMAPTALDH1A1
Hydrochloric Acid SCHEMBL2797475 0.79 LMNA (0.65) SMN1; SMN2TSHRLMNAHTTHPGD
SCHEMBL28926180 0.79 SMN1; SMN2 (0.60) MAPK1SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL1083969 0.78 MAPT (0.71) MAPK1SMN1; SMN2TSHRMAPTALDH1A1

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 MAPK1 65/4885SMN1; SMN2 4250/4885TSHR 2844/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MAPK1 65/4885SMN1; SMN2 4250/4885TSHR 2844/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MAPK1 65/4885SMN1; SMN2 4250/4885TSHR 2844/4885
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 MAPK1 98/4885SMN1; SMN2 4501/4885TSHR 2389/4885

“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.