SCHEMBL2898609

SCHEMBL2898609

CCSc1ncc(C=O)c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
HASPIN Q8TF76 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL4824659 0.84 SMN1; SMN2 (0.55) RAB9AHASPINALDH1A1HSD17B10MAPK1
SCHEMBL1168107 0.81 MEN1 (0.38) RAB9AHASPINALDH1A1NPC1KMT2A
SCHEMBL4245270 0.81 TP53 (0.58) RAB9AALDH1A1HSD17B10MAPK1NPC1
SCHEMBL1352765 0.77 SMN1; SMN2 (0.54) RAB9AALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL11825171 0.74 HASPIN (0.41) RAB9AHASPINALDH1A1HSD17B10MAPK1
SCHEMBL10446753 0.74 NOS3 (0.32) ALDH1A1GAAMAPT
SCHEMBL6804931 0.73 HSD17B10 (0.35) RAB9AHASPINALDH1A1HSD17B10MAPK1
SCHEMBL7996237 0.72 ALDH1A1 (0.34) RAB9AHASPINALDH1A1MAPK1SMN1; SMN2
SCHEMBL1158167 0.72 SMN1; SMN2 (0.52) RAB9AALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL6833126 0.72 SMN1; SMN2 (0.52) RAB9AALDH1A1HSD17B10MAPK1SMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
EP-1784175-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
EP-1784175-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-05-16 EP disclosed
WO-2006036395-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-04-06 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 (2 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-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 RAB9A 3792/4885HASPIN 185/4885ALDH1A1 3486/4885
US-20070254901-A1 Inhibitors of Akt Activity AKT1, AKT2, PIK3CD RAB9A 704/4885HASPIN 57/4885ALDH1A1 3440/4885

“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.