SCHEMBL237735

SCHEMBL237735

FC(F)(F)c1cc2ncc3cc(-c4ccccc4)c(Cl)nc3n2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 4/20 0.37
HSD17B10 Q99714 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
PTGS1 P23219 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL236504 0.88 RAB9A (0.39) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL235881 0.81 RAB9A (0.48) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL234372 0.80 FYN (0.40) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL236310 0.80 KDM4E (0.48) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL236731 0.80 RAB9A (0.39) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3256746 0.79 RAB9A (0.36) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL239877 0.79 NPC1 (0.49) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL238624 0.78 RAB9A (0.38) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2755217 0.78 KDM4E (0.48) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL238625 0.77 NPC1 (0.44) KDM4ESMN1; SMN2RAB9ANPC1MAPT

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 2166/4885SMN1; SMN2 3442/4885RAB9A 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.