SCHEMBL237417

SCHEMBL237417

COC(=O)c1cnc2cc(C)nn2c1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDR P35968 1/20 0.45
KDM4E B2RXH2 4/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL2755207 0.85 NPC1 (0.52) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL759906 0.84 CYP1A2 (0.59) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2755218 0.83 NPC1 (0.46) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL237019 0.83 CYP1A2 (0.55) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2755212 0.82 RAB9A (0.65) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10286758 0.81 NPC1 (0.45) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2755168 0.81 NPC1 (0.46) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2755116 0.80 NPC1 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2755224 0.79 NPC1 (0.59) CYP1A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8443554 0.79 PKM (0.49) CYP1A2NPC1RAB9ASMN1; 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 CYP1A2 4093/4885NPC1 1127/4885RAB9A 778/4885

“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.