SCHEMBL1968268

SCHEMBL1968268

O=C1CN(c2nc(N3CCn4c(nnc4C(F)(F)F)C3)c3cc(CCC(F)(F)F)sc3n2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.54
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
HDAC6 Q9UBN7 1/20 0.32
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DPP4 P27487 1/20 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
SCHEMBL1970332 0.92 P2RY12 (0.63) P2RY12PARP1PARP2PARP3HDAC6
SCHEMBL1968611 0.91 P2RY12 (0.57) P2RY12PARP1PARP2PARP3HDAC6
SCHEMBL1967244 0.90 P2RY12 (0.54) P2RY12PARP1PARP2PARP3KDM4E
SCHEMBL1967160 0.88 P2RY12 (0.50) P2RY12PARP1PARP2PARP3HDAC6
SCHEMBL1966309 0.86 P2RY12 (0.46) P2RY12PARP1PARP2PARP3HDAC6
SCHEMBL1970110 0.86 P2RY12 (0.55) P2RY12PRKCHPRKCEKDM4EMEN1
SCHEMBL1966556 0.85 P2RY12 (0.45) P2RY12HDAC6PRKCHPRKCEMEN1
SCHEMBL1969136 0.84 P2RY12 (0.47) P2RY12KDM4EMEN1KMT2A
SCHEMBL1969201 0.83 P2RY12 (0.67) P2RY12HDAC6KDM4EMEN1KMT2A
SCHEMBL1974132 0.82 P2RY12 (0.73) P2RY12HDAC6KDM4EMEN1KMT2A

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 127/4885PARP1 131/4885PARP2 591/4885

“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.