SCHEMBL1969136

SCHEMBL1969136

CCc1cc2c(N3CCn4c(nnc4C(F)(F)C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 14/20 0.47
HTR6 P50406 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL1970110 0.94 P2RY12 (0.55) P2RY12HTR6SMN1; SMN2KDM4ETMIGD3
SCHEMBL1967244 0.94 P2RY12 (0.54) P2RY12HTR6SMN1; SMN2KDM4ETMIGD3
SCHEMBL1970332 0.87 P2RY12 (0.63) P2RY12HTR6SMN1; SMN2KDM4ETMIGD3
SCHEMBL1970562 0.87 P2RY12 (0.48) P2RY12HTR6SMN1; SMN2KDM4ETMIGD3
SCHEMBL1968611 0.86 P2RY12 (0.57) P2RY12HTR6SMN1; SMN2KDM4ETMIGD3
SCHEMBL1967298 0.85 P2RY12 (0.57) P2RY12HTR6SMN1; SMN2MEN1TP53
SCHEMBL1967160 0.85 P2RY12 (0.50) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL1968268 0.84 P2RY12 (0.54) P2RY12KDM4EMEN1KMT2A
SCHEMBL1967888 0.83 P2RY12 (0.59) P2RY12HTR6MEN1KMT2A
SCHEMBL1966309 0.83 P2RY12 (0.46) P2RY12KDM4E

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 3031/4885SMN1; SMN2 4439/4885

“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.