SCHEMBL237950

SCHEMBL237950

Cc1nc2cc(C(C)C)nn2c2nc(Cl)c(-c3ccccc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
MAPT P10636 7/20 0.39
RAB9A P51151 7/20 0.39
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 6/20 0.38
HPGD P15428 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
GFER P55789 1/20 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
SCHEMBL238113 0.88 RAB9A (0.42) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL236906 0.81 RAB9A (0.40) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL236731 0.80 RAB9A (0.39) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL234704 0.79 MAPT (0.44) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL238557 0.74 RAB9A (0.39) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL237678 0.73 AKT1 (0.49)
SCHEMBL237677 0.73 AKT1 (0.49)
SCHEMBL3255030 0.73 AKT1 (0.46)
SCHEMBL238508 0.73 MAPT (0.45) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL2755292 0.69 AKT1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US 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 (1 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 KDM4E 2166/4885MAPT 4662/4885RAB9A 778/4885

“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.