SCHEMBL1966804

SCHEMBL1966804

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3Cc4ccccc4C3)nc2s1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.66
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR6 P50406 1/20 0.35
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DPP4 P27487 1/20 0.33
CYP2D6 P10635 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
BRD4 O60885 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
SCHEMBL1965755 0.95 P2RY12 (0.63) P2RY12MEN1KMT2AHTR6HPGD
SCHEMBL1974132 0.92 P2RY12 (0.73) P2RY12MEN1KMT2AHTR6SMN1; SMN2
SCHEMBL1969002 0.91 P2RY12 (0.69) P2RY12MEN1KMT2AHTR6HTT
SCHEMBL12491713 0.90 P2RY12 (0.70) P2RY12MEN1KMT2AHTR6HPGD
SCHEMBL1967868 0.89 P2RY12 (0.61) P2RY12MEN1KMT2AHTR6HPGD
SCHEMBL1967582 0.88 P2RY12 (0.68) P2RY12MEN1KMT2AHTR6HPGD
SCHEMBL1967922 0.87 P2RY12 (0.61) P2RY12MEN1KMT2AHTR6DPP4
SCHEMBL1969201 0.87 P2RY12 (0.67) P2RY12MEN1KMT2AHTR6SMN1; SMN2
SCHEMBL1967009 0.86 P2RY12 (0.66) P2RY12MEN1KMT2AHTR6DPP4
SCHEMBL1967045 0.86 P2RY12 (0.66) P2RY12MEN1KMT2AHTR6

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 127/4885MEN1 849/4885KMT2A 4236/4885

“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.