SCHEMBL1969098

SCHEMBL1969098

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N)nc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.72
MEN1 O00255 6/20 0.44
KMT2A Q03164 4/20 0.44
HTR6 P50406 1/20 0.36
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 2/20 0.32
ACE P12821 1/20 0.32
HTR2A P28223 1/20 0.32
FAP Q12884 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOTUM Q6P988 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
CYP8B1 Q9UNU6 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
SCHEMBL1967657 0.90 P2RY12 (0.61) P2RY12MEN1KMT2AHTR6DPP4
SCHEMBL13459927 0.90 P2RY12 (0.73) P2RY12MEN1KMT2AHTR6KDM4E
SCHEMBL1974132 0.90 P2RY12 (0.73) P2RY12MEN1KMT2AHTR6KDM4E
SCHEMBL1969315 0.89 P2RY12 (0.72) P2RY12MEN1KMT2AHTR6DPP4
SCHEMBL1967936 0.89 P2RY12 (0.72) P2RY12MEN1KMT2AHTR6DPP4
SCHEMBL13459935 0.88 P2RY12 (0.71) P2RY12MEN1KMT2AHTR6DPP4
SCHEMBL1972953 0.87 P2RY12 (0.81) P2RY12MEN1KMT2AHTR6KDM4E
SCHEMBL12491713 0.87 P2RY12 (0.70) P2RY12MEN1KMT2AHTR6KDM4E
SCHEMBL1969376 0.87 P2RY12 (0.70) P2RY12MEN1KMT2AHTR6DPP4
SCHEMBL1971336 0.87 P2RY12 (0.70) P2RY12MEN1KMT2AHTR6KDM4E

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.