SCHEMBL238576

SCHEMBL238576

CCOC(=O)c1cnc2cc(C(F)(F)F)nn2c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
MAPT P10636 6/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
CYP2C19 P33261 3/20 0.62
GAA P10253 2/20 0.62
CYP2C9 P11712 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 9/20 0.54
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 3/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
STAT1 P42224 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL235867 0.89 RAB9A (0.69) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2755168 0.86 NPC1 (0.46) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL3262344 0.81 NPC1 (0.61) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL238840 0.81 NPC1 (0.64) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL239039 0.80 NPC1 (0.63) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL236798 0.78 NPC1 (0.61) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL235812 0.78 NPC1 (0.80) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2755213 0.78 RAB9A (0.83) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL236799 0.77 NPC1 (0.68) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL238859 0.77 NPC1 (0.78) NPC1RAB9AMAPTKMT2AMEN1

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 NPC1 1127/4885RAB9A 778/4885MAPT 4662/4885

“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.