SCHEMBL1967555

SCHEMBL1967555

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)C(F)(F)F)C3)nc(N3CCN(C)CC3)nc2s1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.60
HTR6 P50406 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HRH4 Q9H3N8 1/20 0.36
HTT P42858 1/20 0.36
WHR1 P49842 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 2/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CB P42338 1/20 0.31
DPP4 P27487 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
SCHEMBL1969002 0.93 P2RY12 (0.69) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL1967888 0.92 P2RY12 (0.59) P2RY12HTR6MEN1KMT2ADPP4
SCHEMBL1970626 0.88 P2RY12 (0.62) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL1974132 0.87 P2RY12 (0.73) P2RY12HTR6MEN1KMT2AKDM4E
SCHEMBL12491713 0.87 P2RY12 (0.70) P2RY12HTR6MEN1KMT2AKDM4E
SCHEMBL1967277 0.87 P2RY12 (0.63) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL1970110 0.86 P2RY12 (0.55) P2RY12HTR6MEN1KMT2AKDM4E
SCHEMBL12491455 0.86 P2RY12 (0.54) P2RY12MEN1KMT2AALDH1A1DPP4
SCHEMBL1966323 0.86 P2RY12 (0.55) P2RY12MEN1KMT2APIK3CADPP4
SCHEMBL1972930 0.86 P2RY12 (0.59) P2RY12HTR6MEN1KMT2AHRH4

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 127/4885HTR6 3031/4885MEN1 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.