SCHEMBL237778

SCHEMBL237778

Cc1cc2ncc3cc(-c4ccc(F)cc4)c(=O)[nH]c3n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
PLAT P00750 1/20 0.36
KDR P35968 1/20 0.35
CYP1A2 P05177 1/20 0.35
TDO2 P48775 1/20 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
SCHEMBL238920 0.88 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL237769 0.88 AURKA (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL238746 0.88 PLAT (0.39) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL236176 0.87 HTT (0.47) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL238993 0.86 HPGD (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL238712 0.85 HPGD (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL238085 0.84 KDM4E (0.46) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL3248277 0.83 ADORA2A (0.40) NPC1MAPTADORA2AADORA1USP2
SCHEMBL236940 0.83 KDR (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL238222 0.82 KMT2A (0.43) KMT2AHPGDKDM4EALDH1A1HSD17B10

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 POLB 1307/4885NPC1 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.