SCHEMBL235360

SCHEMBL235360

O=c1[nH]c2c(cnc3cc(C4CC4)nn32)nc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.45
CASP7 P55210 12/20 0.45
HSD17B10 Q99714 10/20 0.45
GLA P06280 4/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 11/20 0.40
ALDH1A1 P00352 11/20 0.40
USP2 O75604 10/20 0.40
MEN1 O00255 10/20 0.40
KMT2A Q03164 10/20 0.40
CYP2C9 P11712 9/20 0.40
CYP3A4 P08684 9/20 0.40
HIF1A Q16665 8/20 0.40
HPGD P15428 5/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 1/20 0.39
CLK4 Q9HAZ1 3/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL239244 0.84 PLAT (0.44) HSD17B10LMNACYP1A2ALDH1A1HPGD
SCHEMBL239305 0.83 KDM4E (0.41) CASP1CASP7HSD17B10GLANPC1
SCHEMBL237744 0.70 PLAT (0.40) HSD17B10NPC1RAB9AALDH1A1MEN1
SCHEMBL239178 0.69 ALDH1A1 (0.37) HSD17B10LMNACYP1A2ALDH1A1HPGD
SCHEMBL239223 0.67 PARP1 (0.41) NPC1RAB9APLATPARP1KDM4E
SCHEMBL2755188 0.66 ALDH1A1 (0.42) HSD17B10RAB9AALDH1A1KMT2AHPGD
SCHEMBL2755206 0.65 AURKA (0.46) CASP1CASP7HSD17B10GLANPC1
SCHEMBL236682 0.65 KDM5B (0.38) HSD17B10ALDH1A1KMT2AHPGDMAPK1
SCHEMBL234907 0.64 PLAT (0.36) HSD17B10ALDH1A1KMT2AHPGDMAPK1
SCHEMBL1509112 0.63 RAB9A (1.00) CASP1CASP7HSD17B10GLALMNA

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 CASP1 3403/4885CASP7 1082/4885HSD17B10 2830/4885

“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.