SCHEMBL236760

SCHEMBL236760

Clc1nc2c(cnc3ccnn32)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 14/20 0.38
ALDH1A1 P00352 13/20 0.38
HSD17B10 Q99714 10/20 0.38
USP2 O75604 10/20 0.38
CASP1 P29466 9/20 0.38
CASP7 P55210 9/20 0.38
HIF1A Q16665 6/20 0.38
MAPK1 P28482 6/20 0.38
KMT2A Q03164 5/20 0.38
CYP3A4 P08684 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL238204 0.84 CYP1A2 (0.38) KDM4EPKMCYP1A2ALDH1A1HSD17B10
SCHEMBL238677 0.78 KDM4E (0.44) KDM4EPKMCYP1A2ALDH1A1HSD17B10
SCHEMBL2755164 0.76 RAB9A (0.40) KDM4ECYP1A2ALDH1A1HSD17B10MAPK1
SCHEMBL234554 0.73 KDM4E (0.40) KDM4EPKMCYP1A2ALDH1A1HSD17B10
SCHEMBL16995248 0.73 AKT1 (0.45)
SCHEMBL3255083 0.72 KDM4E (0.48) KDM4ECYP1A2ALDH1A1HSD17B10USP2
SCHEMBL238939 0.71 AKT1 (0.49)
SCHEMBL239669 0.71 AKT1 (0.49)
SCHEMBL239670 0.71 AKT1 (0.49)
SCHEMBL238940 0.71 AKT1 (0.49)

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 KDM4E 2166/4885PKM 1894/4885CYP1A2 4093/4885

“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.