SCHEMBL1970028

SCHEMBL1970028

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCc4cc(OC)c(OC)cc4C3CC)nc2s1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.57
DRD2 P14416 3/20 0.36
DRD1 P21728 3/20 0.36
ADRA1B P35368 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTR1A P08908 1/20 0.32
DRD3 P35462 1/20 0.32
MTNR1B P49286 5/20 0.32
GRIN2C Q14957 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CYP8B1 Q9UNU6 2/20 0.30

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
SCHEMBL12493423 0.92 P2RY12 (0.58) P2RY12DRD2DRD1ADRA1BMEN1
SCHEMBL1966072 0.86 P2RY12 (0.62) P2RY12DRD2DRD1ADRA1BMEN1
SCHEMBL1974132 0.81 P2RY12 (0.73) P2RY12MEN1KMT2A
SCHEMBL1969002 0.80 P2RY12 (0.69) P2RY12MEN1KMT2A
SCHEMBL1965755 0.80 P2RY12 (0.63) P2RY12MEN1KMT2AMAPTHPGD
SCHEMBL1966804 0.79 P2RY12 (0.66) P2RY12MEN1KMT2AMAPTHPGD
SCHEMBL12491713 0.79 P2RY12 (0.70) P2RY12MEN1KMT2AHPGD
SCHEMBL1972953 0.79 P2RY12 (0.81) P2RY12MEN1KMT2ACYP8B1
SCHEMBL13460039 0.79 P2RY12 (0.64) P2RY12MEN1KMT2ACYP8B1
SCHEMBL12495239 0.79 P2RY12 (0.61) P2RY12MEN1KMT2ACYP8B1

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
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 127/4885DRD2 3930/4885DRD1 3375/4885

“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.