SCHEMBL2508692

SCHEMBL2508692

CNC(=O)c1cccc2nc(C(C)N)n(C3CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
HTR3A P46098 3/20 0.37
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
ACSS2 Q9NR19 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLK1 P53350 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
JAK1 P23458 3/20 0.35
JAK2 O60674 3/20 0.35
PIK3CD O00329 1/20 0.35
EGFR P00533 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
SCHEMBL2505347 1.00 TP53 (0.39) TP53OPRM1OPRD1OPRK1OGFRL1
SCHEMBL2510509 0.90 KDM4E (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2510511 0.90 KDM4E (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2508093 0.88 MAPT (0.38) TP53OPRM1OPRD1OPRK1OGFRL1
SCHEMBL2510327 0.88 MAPT (0.38) TP53OPRM1OPRD1OPRK1OGFRL1
SCHEMBL2505074 0.88 PIK3CD (0.38) TP53OPRM1OPRD1OPRK1OGFRL1
SCHEMBL2505077 0.88 PIK3CD (0.38) TP53OPRM1OPRD1OPRK1OGFRL1
SCHEMBL2505515 0.87 TP53 (0.41) TP53OPRM1OPRD1OPRK1OGFRL1
SCHEMBL2505167 0.86 KDM4E (0.42) TP53OPRK1HTR3AHTR3EHTR3B
SCHEMBL2505172 0.86 KDM4E (0.42) TP53OPRK1HTR3AHTR3EHTR3B

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
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 TP53 283/4885OPRM1 2421/4885OPRD1 1063/4885

“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.