SCHEMBL1967491

SCHEMBL1967491

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(C(=O)NCC(=O)OCC)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.61
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
PTK2B Q14289 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CYP8B1 Q9UNU6 5/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 3/20 0.33
NOTUM Q6P988 1/20 0.33
LMNA P02545 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL1966872 0.94 P2RY12 (0.61) P2RY12MEN1KMT2AHDAC6CYP8B1
SCHEMBL1966061 0.92 P2RY12 (0.63) P2RY12MEN1KMT2AHDAC6CYP8B1
SCHEMBL1969782 0.91 P2RY12 (0.59) P2RY12MEN1KMT2AHDAC6CYP8B1
SCHEMBL1968631 0.89 P2RY12 (0.67) P2RY12MEN1KMT2AKDM4EHPGD
SCHEMBL2200174 0.88 P2RY12 (0.65) P2RY12MEN1KMT2AHDAC6CYP8B1
SCHEMBL1969489 0.88 P2RY12 (0.63) P2RY12MEN1KMT2AHDAC6CYP8B1
SCHEMBL1969034 0.88 P2RY12 (0.54) P2RY12MEN1KMT2AHDAC6CYP8B1
SCHEMBL1967296 0.87 P2RY12 (0.59) P2RY12MEN1KMT2AKDM4EMAPT
SCHEMBL1968237 0.86 P2RY12 (0.69) P2RY12MEN1KMT2AHDAC6CYP8B1
SCHEMBL1969107 0.86 P2RY12 (0.65) P2RY12MEN1KMT2AKDM4EHPGD

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
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 P2RY12 127/4885MEN1 849/4885KMT2A 4236/4885

“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.