SCHEMBL2505077

SCHEMBL2505077

CCC(N)c1nc2cccc(C(=O)NC)c2n1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.38
GRK6 P43250 1/20 0.37
CYP2C9 P11712 1/20 0.37
ACSS2 Q9NR19 2/20 0.35
OGFRL1 Q5TC84 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PLK1 P53350 1/20 0.34
TP53 P04637 2/20 0.33
TYK2 P29597 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
SCHEMBL2505074 1.00 PIK3CD (0.38) PIK3CDGRK6CYP2C9ACSS2OGFRL1
SCHEMBL2505347 0.88 TP53 (0.39) PIK3CDCYP2C9ACSS2OGFRL1OPRM1
SCHEMBL2508692 0.88 TP53 (0.39) PIK3CDCYP2C9ACSS2OGFRL1OPRM1
SCHEMBL2510509 0.78 KDM4E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2510511 0.78 KDM4E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2506630 0.76 PIK3CD (0.50) PIK3CDPIK3R1PIK3CG
SCHEMBL2510327 0.76 MAPT (0.38) OGFRL1OPRM1OPRD1OPRK1JAK2
SCHEMBL2508093 0.76 MAPT (0.38) OGFRL1OPRM1OPRD1OPRK1JAK2
SCHEMBL2503789 0.76 PIK3CD (0.36) PIK3CDCYP2C9PIK3CG
SCHEMBL2505515 0.75 TP53 (0.41) OGFRL1OPRM1OPRD1OPRK1JAK2

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 PIK3CD 16/4885GRK6 1541/4885CYP2C9 2845/4885

“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.