SCHEMBL240101

SCHEMBL240101

CC(=O)Oc1ccccc1-c1cc2cnc3cc(C)nn3c2nc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 3/20 0.36
PDE5A O76074 1/20 0.35
PKM P14618 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
AURKA O14965 1/20 0.33
FYN P06241 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDR P35968 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL238176 0.88 MAOB (0.40) MAOBCYP1A2SMN1; SMN2TSHRPDE5A
SCHEMBL234750 0.82 MAOB (0.41) MAOBCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL236382 0.82 FYN (0.38) CYP1A2SMN1; SMN2TSHRPKMNPC1
SCHEMBL2755346 0.76 AKT1 (0.40)
SCHEMBL3263167 0.76 AKT1 (0.38)
SCHEMBL234670 0.73 FYN (0.40) SMN1; SMN2NPC1RAB9AAURKAFYN
SCHEMBL2755345 0.73 AKT1 (0.39)
SCHEMBL2755334 0.72 NPC1 (0.43) MAOBCYP1A2SMN1; SMN2TSHRNPC1
SCHEMBL238654 0.72 MAOB (0.41) MAOBCYP1A2SMN1; SMN2PKMNPC1
SCHEMBL235500 0.68 KMT2A (0.40) CYP1A2SMN1; SMN2PKMNPC1RAB9A

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 MAOB 3293/4885CYP1A2 4093/4885SMN1; SMN2 3442/4885

“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.