SCHEMBL751783

SCHEMBL751783

Cc1n[c]cc(NC(=O)N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 4/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABCC1 P33527 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 1/20 0.43
BLM P54132 1/20 0.43
GSK3B P49841 3/20 0.43
DYRK1A Q13627 3/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL753002 0.85 KDM4E (0.43) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL15006456 0.72 KDM4E (0.49) ALDH1A1KDM4ERAB9ACYP2C9CYP2C19
SCHEMBL750983 0.71 HPGD (0.49) RAB9ALMNASMN1; SMN2NPC1MEN1
SCHEMBL22511353 0.69 RAB9A (0.59) ALDH1A1KDM4ERAB9ACYP2C9CYP2C19
SCHEMBL27892245 0.67 KMT2A (0.46) ALDH1A1KDM4ERAB9ACYP2C9LMNA
SCHEMBL749069 0.67 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL31461172 0.67 LMNA (0.67) ALDH1A1KDM4ERAB9ALMNASMN1; SMN2
SCHEMBL13771988 0.67 GSK3B (0.44) ALDH1A1KDM4ERAB9ACYP2C9CYP2C19
SCHEMBL13765793 0.67 CNR2 (0.50) ALDH1A1KDM4ERAB9ACYP2C9CYP2C19
SCHEMBL13470220 0.66 BRAF (0.55) ALDH1A1KDM4ERAB9ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD ALDH1A1 4785/4885KDM4E 1665/4885RAB9A 677/4885

“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.