SCHEMBL1968012

SCHEMBL1968012

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC(C(=O)OCOC(=O)C(C)(C)C)C3)nc2s1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.55
CYP8B1 Q9UNU6 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
IGF1R P08069 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SHMT2 P34897 1/20 0.31

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
SCHEMBL1967497 0.97 P2RY12 (0.55) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1967494 0.97 P2RY12 (0.55) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1968193 0.97 P2RY12 (0.55) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1966464 0.92 P2RY12 (0.58) P2RY12CYP8B1MEN1KMT2AMAPT
SCHEMBL1967510 0.89 P2RY12 (0.55) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1967506 0.89 P2RY12 (0.55) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1968023 0.88 P2RY12 (0.60) P2RY12CYP8B1MEN1KMT2AKDM4E
SCHEMBL1966807 0.88 P2RY12 (0.57) P2RY12CYP8B1MEN1KMT2AMAPT
SCHEMBL12493463 0.88 P2RY12 (0.54) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1966527 0.87 P2RY12 (0.59) P2RY12CYP8B1MEN1KMT2AKDM4E

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-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

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 127/4885CYP8B1 508/4885MEN1 849/4885

“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.