SCHEMBL239636

SCHEMBL239636

CC(C)c1cc2ncc3cc(-c4ccsc4)c(Cl)nc3n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FYN P06241 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CG P48736 1/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP2A6 P11509 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL239038 0.86 RAB9A (0.42) CYP11B1CYP11B2FYNRAB9APOLB
SCHEMBL236731 0.84 RAB9A (0.39) PIK3CDPIK3R2RAB9ANPC1SMN1; SMN2
SCHEMBL238211 0.83 CYP11B1 (0.35) CYP11B1CYP11B2FYNPIK3CDPIK3R2
SCHEMBL239555 0.80 CYP11B1 (0.36) CYP11B1CYP11B2FYNRAB9ANPC1
SCHEMBL238540 0.79 NPC1 (0.45) FYNRAB9ARXFP1NPC1SMN1; SMN2
SCHEMBL240104 0.76 PIK3CD (0.35) PIK3CDPIK3R2PIK3CGRAB9ANPC1
SCHEMBL238226 0.76 KDM5B (0.38) DRD2HTR6FYNRAB9APOLB
SCHEMBL2755278 0.75 AKT1 (0.41)
SCHEMBL3253789 0.75 AKT1 (0.38)
SCHEMBL240299 0.75 AKT1 (0.41)

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 DRD2 4029/4885HTR6 3910/4885CYP11B1 2800/4885

“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.