SCHEMBL1968412

SCHEMBL1968412

CCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCC(O)CO)nc2s1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 11/20 0.66
MEN1 O00255 4/20 0.39
KMT2A Q03164 2/20 0.39
HTR6 P50406 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TMIGD3 P0DMS9 1/20 0.33
RAB9A P51151 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
SCHEMBL1968970 0.94 P2RY12 (0.76) P2RY12MEN1KMT2AHTR6
SCHEMBL1967953 0.94 P2RY12 (0.58) P2RY12MEN1KMT2AHTR6SMN1; SMN2
SCHEMBL1968293 0.88 P2RY12 (0.50) P2RY12MEN1KMT2AHTR6SMN1; SMN2
SCHEMBL1965592 0.88 P2RY12 (0.77) P2RY12MEN1KMT2AHTR6SMN1; SMN2
SCHEMBL1966427 0.88 P2RY12 (0.67) P2RY12MEN1KMT2AHTR6
SCHEMBL1970803 0.86 P2RY12 (0.77) P2RY12MEN1KMT2AHTR6
SCHEMBL13459953 0.86 P2RY12 (0.58) P2RY12MEN1KMT2AHTR6SMN1; SMN2
SCHEMBL1971404 0.84 P2RY12 (0.60) P2RY12MEN1KMT2AHTR6SMN1; SMN2
SCHEMBL1968302 0.84 P2RY12 (0.56) P2RY12MEN1KMT2AHTR6SMN1; SMN2
SCHEMBL12409400 0.84 P2RY12 (0.56) P2RY12MEN1KMT2AHTR6SMN1; SMN2

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 5 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

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.