SCHEMBL239305

SCHEMBL239305

O=c1[nH]c2c(cnc3cc(C4CC4)nn32)nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLAT P00750 5/20 0.39
FYN P06241 1/20 0.38
PARP1 P09874 2/20 0.38
KDR P35968 2/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CYP1A2 P05177 6/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP2C19 P33261 4/20 0.35
HPGD P15428 4/20 0.35
TSHR P16473 3/20 0.35
ALOX15 P16050 2/20 0.35
CYP2C9 P11712 4/20 0.35
HSD17B10 Q99714 4/20 0.35
MAPK1 P28482 3/20 0.35
CYP3A4 P08684 3/20 0.35
CASP1 P29466 3/20 0.35

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
SCHEMBL235360 0.83 CASP1 (0.45) KDM4ENPC1RAB9APLATFYN
SCHEMBL237744 0.82 PLAT (0.40) KDM4ENPC1RAB9APLATFYN
SCHEMBL2755206 0.81 AURKA (0.46) KDM4ENPC1RAB9APARP1CYP1A2
SCHEMBL239223 0.78 PARP1 (0.41) KDM4ENPC1RAB9APLATFYN
SCHEMBL3255083 0.75 KDM4E (0.48) KDM4ENPC1RAB9AKDRCYP1A2
SCHEMBL236397 0.72 PDK2 (0.43) KDM4ENPC1RAB9APLATPARP1
SCHEMBL239244 0.70 PLAT (0.44) KDM4EPLATFYNPARP1CYP1A2
SCHEMBL234372 0.66 FYN (0.40) KDM4ENPC1RAB9AFYNADORA2A
SCHEMBL13317488 0.64 KDM4E (0.58) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL13297993 0.64 PARP1 (0.49) KDM4ENPC1RAB9APLATFYN

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 KDM4E 2166/4885NPC1 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.