SCHEMBL236642

SCHEMBL236642

Cc1cc2nc(C)c(C=O)c(N)n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
PIK3CG P48736 1/20 0.38
AURKA O14965 2/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL237634 0.81 NPC1 (0.37) KDM4EPKMNPC1RAB9AHPGD
SCHEMBL11930695 0.77 KDM4E (0.54) KDM4EPOLBPKMNPC1RAB9A
SCHEMBL236943 0.75 KDR (0.40) NPC1RAB9AKDR
SCHEMBL235359 0.72 NPC1 (0.50) KDM4EPOLBPKMNPC1RAB9A
SCHEMBL10388599 0.71 KDM4E (0.66) KDM4EPOLBPKMNPC1RAB9A
SCHEMBL238864 0.70 KDM4E (0.47) KDM4EPOLBPKMNPC1RAB9A
SCHEMBL3418500 0.70 AURKA (0.55) KDM4EPOLBNPC1RAB9AHPGD
SCHEMBL2755156 0.69 HPGD (0.48) KDM4ENPC1RAB9AHPGDMEN1
SCHEMBL29951145 0.67 NCF1 (0.37) KDM4EPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL3175002 0.67 NCF1 (0.37) KDM4EPOLBSMN1; 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 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 2166/4885POLB 1307/4885PKM 1894/4885

“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.