SCHEMBL1969602

SCHEMBL1969602

CCc1cc2c(N3CCn4c(nnc4C(F)(F)C(F)(F)F)C3)nc(Cl)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.53
HTR6 P50406 1/20 0.43
MEN1 O00255 7/20 0.39
KMT2A Q03164 6/20 0.39
HRH4 Q9H3N8 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 3/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TMIGD3 P0DMS9 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1967277 0.93 P2RY12 (0.63) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL1970024 0.92 P2RY12 (0.62) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL1967936 0.85 P2RY12 (0.72) P2RY12HTR6MEN1KMT2A
SCHEMBL12409612 0.84 HTR6 (0.50) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL12409406 0.83 P2RY12 (0.65) P2RY12HTR6MEN1KMT2A
SCHEMBL1967052 0.83 HTR6 (0.47) P2RY12HTR6MEN1KMT2ASMN1; SMN2
SCHEMBL1973330 0.82 P2RY12 (0.57) P2RY12HTR6MEN1KMT2A
SCHEMBL13459953 0.81 P2RY12 (0.58) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL1969136 0.81 P2RY12 (0.47) P2RY12HTR6MEN1KMT2ASMN1; SMN2
SCHEMBL13460053 0.81 P2RY12 (0.47) P2RY12HTR6MEN1KMT2A

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.