SCHEMBL236906

SCHEMBL236906

Cc1nc2cc(C3CC3)nn2c2nc(Cl)c(-c3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.40
NPC1 O15118 8/20 0.40
KDM4E B2RXH2 6/20 0.40
MAPT P10636 6/20 0.40
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
DPP4 P27487 1/20 0.36
TP53 P04637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 3/20 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
SCHEMBL238113 0.86 RAB9A (0.42) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL237950 0.81 KDM4E (0.39) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL234372 0.81 FYN (0.40) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL234704 0.77 MAPT (0.44) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL238624 0.76 RAB9A (0.38) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL236397 0.76 PDK2 (0.43) RAB9ANPC1KDM4EMAPTPDK2
SCHEMBL2755290 0.75 AKT1 (0.46)
SCHEMBL13317488 0.72 KDM4E (0.58) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL3299072 0.71 KDM4E (0.45) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL236775 0.71 AKT1 (0.36)

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 RAB9A 778/4885NPC1 1127/4885KDM4E 2166/4885

“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.