SCHEMBL236385

SCHEMBL236385

Cc1cc2ncc3cc(-c4cccnc4)c(Cl)nc3n2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
NPC1 O15118 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FYN P06241 4/20 0.38

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
SCHEMBL235881 0.88 RAB9A (0.48) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL238454 0.87 HTT (0.49) DYRK1ANPC1MEN1KMT2ARAB9A
SCHEMBL238551 0.85 NPC1 (0.41) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL238620 0.85 NPC1 (0.43) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL239031 0.85 NPC1 (0.51) DYRK3CCNA2CDK2CDK5DYRK1A
SCHEMBL234727 0.83 NPC1 (0.49) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL238571 0.83 NPC1 (0.61) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL236118 0.83 NPC1 (0.41) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL239038 0.81 RAB9A (0.42) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL237892 0.81 RAB9A (0.49) NPC1MEN1KMT2ARAB9ASMN1; SMN2

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 DYRK3 1944/4885CCNA2 658/4885CDK2 50/4885

“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.