SCHEMBL1970060

SCHEMBL1970060

CCCc1nc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCC[C@H](C(=O)OCC)C3)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.41
MAPT P10636 5/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 7/20 0.38
NPSR1 Q6W5P4 3/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 5/20 0.35
CASP1 P29466 1/20 0.35
MMP13 P45452 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
S100A4 P26447 1/20 0.35
HTT P42858 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
SCHEMBL1970061 1.00 P2RY12 (0.41) P2RY12MAPTGAAALDH1A1NPSR1
SCHEMBL1968129 0.92 P2RY12 (0.41) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1968133 0.92 P2RY12 (0.41) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1966464 0.86 P2RY12 (0.58) P2RY12MAPTGAAALDH1A1NPSR1
SCHEMBL1968832 0.82 P2RY12 (0.43) P2RY12
SCHEMBL1968830 0.82 P2RY12 (0.43) P2RY12
SCHEMBL1968012 0.78 P2RY12 (0.55) P2RY12MAPTGAAALDH1A1TP53
SCHEMBL1966807 0.78 P2RY12 (0.57) P2RY12MAPTGAAALDH1A1NPSR1
SCHEMBL1968194 0.77 P2RY12 (0.43) P2RY12
SCHEMBL1968023 0.77 P2RY12 (0.60) P2RY12ALDH1A1KDM4EMEN1KMT2A

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 127/4885MAPT 4280/4885GAA 2264/4885

“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.