SCHEMBL2889845

SCHEMBL2889845

CCSc1ncc(CO)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.40
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
TSHR P16473 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL1990493 0.83 HASPIN (0.40) HASPINHSD17B10ALDH1A1RAB9ANPC1
SCHEMBL1168222 0.82 ALDH1A1 (0.42) ALDH1A1MEN1HTTKMT2A
SCHEMBL1351680 0.76 ALDH1A1 (0.55) HSD17B10ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11825171 0.75 HASPIN (0.41) HASPINHSD17B10ALDH1A1RAB9ANPC1
SCHEMBL1158167 0.73 SMN1; SMN2 (0.52) HSD17B10ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6833126 0.73 SMN1; SMN2 (0.52) HSD17B10ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10709252 0.73 DHFR (0.41) KDM4ELMNA
SCHEMBL479344 0.72 LMNA (0.61) ALDH1A1KDM4ELMNAHSP90AA1
SCHEMBL10999109 0.71 HASPIN (0.41) HASPINHSD17B10ALDH1A1RAB9ANPC1
SCHEMBL7560692 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-220518657-U Bundling machine feed roller stable in operation 邯郸钢铁集团有限责任公司 2024-02-23 CN 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
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
EP-1737861-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2006036395-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-04-06 WO disclosed
WO-2005100356-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 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 HASPIN 185/4885HSD17B10 2295/4885ALDH1A1 3486/4885
US-20070254901-A1 Inhibitors of Akt Activity AKT1, AKT2, PIK3CD HASPIN 57/4885HSD17B10 4219/4885ALDH1A1 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.