SCHEMBL2795640

SCHEMBL2795640

O=C(O)C1CCN(c2ncnc3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
DYRK1A Q13627 1/20 0.58
HRH1 P35367 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
CYP2C9 P11712 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PTK2 Q05397 1/20 0.57
HRH4 Q9H3N8 1/20 0.57
MALT1 Q9UDY8 1/20 0.54
AKT1 P31749 3/20 0.53
AKT2 P31751 3/20 0.53
AKT3 Q9Y243 3/20 0.53
TSHR P16473 1/20 0.52

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
Hydrochloric Acid SCHEMBL2797475 0.86 LMNA (0.65) LMNAHTTSMN1; SMN2CYP3A4HPGD
SCHEMBL2797283 0.81 MAPK1 (0.68) LMNAHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL6528468 0.81 LMNA (0.73) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL2798904 0.80 LMNA (0.71) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL29230268 0.79 LMNA (0.59) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL19000116 0.78 ADRB2 (0.57) ALDH1A1AKT1PDGFRBKDM4ECYP2C19
Hydrochloric Acid SCHEMBL8131399 0.77 LMNA (0.97) LMNAHTTSMN1; SMN2HPGDHRH1
SCHEMBL11015775 0.77 PTK2 (0.73) LMNAHTTSMN1; SMN2HPGDHRH1
SCHEMBL27879845 0.76 PTK2 (0.71) LMNAHTTSMN1; SMN2HPGDHRH1
SCHEMBL785334 0.76 LMNA (0.70) LMNAHTTSMN1; SMN2HRH1HRH3

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 LMNA 1430/4885HTT 4032/4885SMN1; SMN2 4250/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 LMNA 1430/4885HTT 4032/4885SMN1; SMN2 4250/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 LMNA 1430/4885HTT 4032/4885SMN1; SMN2 4250/4885
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 LMNA 1761/4885HTT 4100/4885SMN1; SMN2 4501/4885

“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.