SCHEMBL1966810

SCHEMBL1966810

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCNC(=O)C3CCCCC3)nc2s1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.71
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
DPP4 P27487 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CYP8B1 Q9UNU6 3/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
EPHX2 P34913 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33
ERG P11308 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 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
SCHEMBL1965440 0.99 P2RY12 (0.72) P2RY12KMT2AMEN1DPP4HDAC6
SCHEMBL1969203 0.97 P2RY12 (0.73) P2RY12KMT2AMEN1DPP4HDAC6
SCHEMBL1970514 0.90 P2RY12 (0.78) P2RY12KMT2AMEN1DPP4HDAC6
SCHEMBL1970141 0.90 P2RY12 (0.78) P2RY12KMT2AMEN1DPP4HDAC6
SCHEMBL1966316 0.89 P2RY12 (0.76) P2RY12KMT2AMEN1DPP4HDAC6
SCHEMBL1967422 0.89 P2RY12 (0.79) P2RY12KMT2AMEN1DPP4HDAC6
SCHEMBL1966577 0.89 P2RY12 (0.76) P2RY12KMT2AMEN1DPP4HDAC6
SCHEMBL1971353 0.89 P2RY12 (0.75) P2RY12KMT2AMEN1DPP4HDAC6
SCHEMBL1970007 0.89 P2RY12 (0.75) P2RY12KMT2AMEN1DPP4HDAC6
SCHEMBL1969867 0.88 P2RY12 (0.74) P2RY12KMT2AMEN1DPP4HDAC6

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 4 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
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 127/4885KMT2A 4236/4885MEN1 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.