SCHEMBL234704

SCHEMBL234704

Cc1nc2ccnn2c2nc(Cl)c(-c3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
RAB9A P51151 7/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 4/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
KCNN3 Q9UGI6 3/20 0.38
STAT1 P42224 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37

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 0.83 RAB9A (0.42) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL237950 0.79 KDM4E (0.39) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL236906 0.77 RAB9A (0.40) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL2755164 0.76 RAB9A (0.40) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL239574 0.72 RAB9A (0.39) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL239318 0.71 AKT1 (0.49)
SCHEMBL3258088 0.71 AKT1 (0.44)
SCHEMBL11607153 0.70 MAPT (0.62) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL13225458 0.69 PDE10A (0.41) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL1352482 0.68 PSMB5 (0.44) MAPTKDM4EALDH1A1MEN1KMT2A

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 5 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
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 MAPT 4662/4885RAB9A 778/4885KDM4E 2166/4885

“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.