SCHEMBL238498

SCHEMBL238498

Cc1nc2ccnn2c(N)c1CO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.40
DGAT1 O75907 5/20 0.38
PDE10A Q9Y233 2/20 0.34
MBOAT4 Q96T53 4/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL11931247 0.78 MAPT (0.48) KDRCHEK1
SCHEMBL16986800 0.78 KDR (0.41) KDRDGAT1PDE10ACHEK1CCNA2
SCHEMBL462663 0.76 KDR (0.35) KDRCDK2
SCHEMBL238864 0.75 KDM4E (0.47) KDR
SCHEMBL15514573 0.73 DGAT1 (0.34) KDRDGAT1MBOAT4
SCHEMBL14013824 0.72 PRKAB2 (0.39) PDE10AMAPKAPK2
SCHEMBL30987 0.72 MAPKAPK2 (0.42) KDRDGAT1PDE10AMBOAT4MAPKAPK2
SCHEMBL7460875 0.71 KDR (0.38) KDRDGAT1PDE10ACHEK1CCNA2
SCHEMBL236943 0.71 KDR (0.40) KDRDGAT1PDE10ACHEK1CCNA2
SCHEMBL21222854 0.71 MBOAT4 (0.56) MBOAT4

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 KDR 2067/4885DGAT1 2268/4885PDE10A 2164/4885

“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.