SCHEMBL1968039

SCHEMBL1968039

CCc1nc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(NCCO)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.42
SLC29A1 Q99808 3/20 0.39
HDAC6 Q9UBN7 1/20 0.33
DPP4 P27487 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NOTUM Q6P988 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
GBA1 P04062 2/20 0.30
POLB P06746 1/20 0.30
BRD4 O60885 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
SCHEMBL1968928 0.82 P2RY12 (0.58) P2RY12MEN1KMT2A
SCHEMBL1967291 0.82 P2RY12 (0.44) P2RY12HDAC6DPP4NOTUMBRD4
SCHEMBL1967427 0.80 P2RY12 (0.42) P2RY12HDAC6DPP4NOTUM
SCHEMBL1970983 0.79 P2RY12 (0.68) P2RY12SLC29A1HDAC6MEN1KMT2A
SCHEMBL1969134 0.78 P2RY12 (0.49) P2RY12SLC29A1HDAC6DPP4MEN1
SCHEMBL1968003 0.78 P2RY12 (0.61) P2RY12HDAC6MEN1KMT2A
SCHEMBL1969823 0.75 P2RY12 (0.49) P2RY12HDAC6DPP4NOTUMBRD4
SCHEMBL1967658 0.75 P2RY12 (0.39) P2RY12HDAC6PDE4APDE4BPDE4C
SCHEMBL12409403 0.74 P2RY12 (0.58) P2RY12MEN1KMT2A
SCHEMBL1972666 0.73 P2RY12 (0.59) P2RY12MEN1KMT2A

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 127/4885SLC29A1 3996/4885HDAC6 774/4885

“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.