SCHEMBL238746

SCHEMBL238746

Cc1cc2ncc3cc(-c4cccc(F)c4)c(=O)[nH]c3n2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.39
AURKA O14965 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
POLB P06746 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
CHEK1 O14757 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MAT2A P31153 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
FYN P06241 2/20 0.35
TYMP P19971 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
SCHEMBL236940 0.89 KDR (0.41) AURKACHEK1NPC1RAB9ASMN1; SMN2
SCHEMBL237778 0.88 POLB (0.47) PLATAURKAPOLBNPC1RAB9A
SCHEMBL237769 0.88 AURKA (0.46) AURKANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL236899 0.87 CHEK1 (0.51) PLATAURKAADORA3CHEK1GRIN1
SCHEMBL238752 0.85 ALDH1A1 (0.45) PLATFYN
SCHEMBL234726 0.84 PLAT (0.42) PLATTYMP
SCHEMBL238222 0.83 KMT2A (0.43) PLATAURKAHPGDKMT2AFYN
SCHEMBL3248277 0.82 ADORA2A (0.40) PLATAURKAADORA3TNKS2NPC1
SCHEMBL236176 0.82 HTT (0.47) AURKAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL238920 0.81 NPC1 (0.56) CHEK1NPC1RAB9ASMN1; SMN2MEN1

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 PLAT 1906/4885AURKA 470/4885ADORA3 3384/4885

“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.