SCHEMBL29902

SCHEMBL29902

O=C(O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATR Q13535 2/20 0.44
ATRIP Q8WXE1 2/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
PDE10A Q9Y233 3/20 0.43
PKM P14618 1/20 0.41
AKR1C3 P42330 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL31390 0.88 NPC1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30736 0.78 ATR (0.49) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6894445 0.71 PIK3CA (0.50) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL584148 0.71 AKR1C3 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL584040 0.70 ATR (0.41) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6891509 0.70 NEK2 (0.42) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6894483 0.69 EGFR (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6893430 0.69 NPC1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6893434 0.68 FASN (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL584149 0.68 NPC1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 EP disclosed
EP-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 EP disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
EP-2608668-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR KDM4E 2514/4885NPC1 245/4885RAB9A 523/4885

“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.