SCHEMBL238959

SCHEMBL238959

O=c1[nH]c2c(cnc3cc(C(F)(F)F)nn32)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
ALPL P05186 2/20 0.37
ALPI P09923 2/20 0.37
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIA1 P42261 2/20 0.35
PTGS1 P23219 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
TDP2 O95551 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL236540 0.89 AURKA (0.38) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL237769 0.82 AURKA (0.46) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL238085 0.81 KDM4E (0.46) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL237744 0.81 PLAT (0.40) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL237826 0.81 MET (0.38) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL240253 0.80 NPC1 (0.47) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL239223 0.79 PARP1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2KDR
SCHEMBL2755211 0.79 NPC1 (0.49) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL239224 0.78 NPC1 (0.43) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL239290 0.77 KDR (0.39) HPGDKDM4ENPC1RAB9ASMN1; SMN2

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 HPGD 3459/4885ALPL 1695/4885ALPI 804/4885

“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.