SCHEMBL238464

SCHEMBL238464

Cc1nn2c(ncc3cc(-c4ccccc4)c(-c4ccc(N5CCOC5=O)cc4)nc32)c1-c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAP4K1 Q92918 1/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
TNKS O95271 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKT1 P31749 3/20 0.35
AKT2 P31751 3/20 0.35
DGAT1 O75907 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2755184 0.86 MAPT (0.43) GAAMAPTMEN1KMT2ANPC1
SCHEMBL237603 0.82 TNKS (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL238250 0.74 MAPT (0.55) GAAMAPTMEN1KMT2ANPC1
SCHEMBL240042 0.74 MAPT (0.55) GAAMAPTMEN1KMT2ANPC1
SCHEMBL239482 0.73 AKT1 (0.48) AKT1AKT2
SCHEMBL239481 0.73 AKT1 (0.48) AKT1AKT2
SCHEMBL1725530 0.72 MAPT (0.41) GAAMAPTMEN1KMT2ANPC1
SCHEMBL16995256 0.68 KMT2A (0.44) GAAMAPTMEN1KMT2ANPC1
SCHEMBL235235 0.66 AKT1 (0.48) MEN1KMT2ANPC1RAB9AAKT1
SCHEMBL238558 0.65 AKT1 (0.50) MEN1KMT2ANPC1RAB9AAKT1

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 9 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 claimed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US claimed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US claimed
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 GAA 876/4885MAPT 4662/4885MEN1 1044/4885

“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.