SCHEMBL234598

SCHEMBL234598

CC(C)(C)c1cc2ncc(CO)c(N)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
AURKA O14965 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
LTK P29376 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 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
SCHEMBL236782 0.85 NPC1 (0.35) POLBPKMNPC1RAB9ASMN1; SMN2
SCHEMBL235020 0.83 NPC1 (0.54) POLBPKMNPC1RAB9ASMN1; SMN2
SCHEMBL3255128 0.78 NPC1 (0.35) POLBPKMNPC1RAB9ASMN1; SMN2
SCHEMBL238744 0.78 NPC1 (0.36) POLBPKMNPC1RAB9ASMN1; SMN2
SCHEMBL2755214 0.76 NPC1 (0.61) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL235994 0.73 POLB (0.44) POLBAURKACSF1RRETLTK
SCHEMBL239025 0.72 FYN (0.38) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2755207 0.72 NPC1 (0.52) POLBAURKACSF1RRETLTK
SCHEMBL235867 0.72 RAB9A (0.69) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL235072 0.71 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 POLB 1307/4885AURKA 470/4885CSF1R 3292/4885

“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.