SCHEMBL236899

SCHEMBL236899

Cc1cc2ncc3cc(-c4cccc(Cl)c4)c(=O)[nH]c3n2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
PLAT P00750 2/20 0.39
DYRK3 O43781 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
AURKA O14965 1/20 0.37

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
SCHEMBL236940 0.89 KDR (0.41) CHEK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL238920 0.88 NPC1 (0.56) CHEK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL237769 0.88 AURKA (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL238746 0.87 PLAT (0.39) CHEK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL238752 0.85 ALDH1A1 (0.45) PLAT
SCHEMBL234726 0.84 PLAT (0.42) PLATXDH
SCHEMBL238222 0.83 KMT2A (0.43) KMT2AHPGDPLATCDK5CDK5R1
SCHEMBL239674 0.82 TP53 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL236176 0.82 HTT (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL237778 0.81 POLB (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
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

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 CHEK1 730/4885NPC1 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.