SCHEMBL1968320

SCHEMBL1968320

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CC[C@H](C(=O)NCCN)C3)nc2s1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.56
KDM4E B2RXH2 3/20 0.36
CYP8B1 Q9UNU6 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
ERG P11308 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
DPP4 P27487 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL2179105 0.94 P2RY12 (0.55) P2RY12KDM4ECYP8B1HSD17B10HPGD
SCHEMBL1967060 0.94 P2RY12 (0.57) P2RY12KDM4ECYP8B1HSD17B10HPGD
SCHEMBL1969768 0.92 P2RY12 (0.57) P2RY12KDM4ECYP8B1MEN1KMT2A
SCHEMBL1969766 0.92 P2RY12 (0.57) P2RY12KDM4ECYP8B1MEN1KMT2A
SCHEMBL1969147 0.91 P2RY12 (0.58) P2RY12KDM4ECYP8B1MEN1KMT2A
SCHEMBL1966554 0.91 P2RY12 (0.58) P2RY12KDM4ECYP8B1MEN1KMT2A
SCHEMBL1967118 0.91 P2RY12 (0.55) P2RY12KDM4ECYP8B1DPP4MEN1
SCHEMBL12410018 0.90 P2RY12 (0.57) P2RY12KDM4ECYP8B1MEN1KMT2A
SCHEMBL1967408 0.90 P2RY12 (0.59) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1967404 0.90 P2RY12 (0.59) P2RY12CYP8B1MEN1KMT2A

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
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

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 127/4885KDM4E 3758/4885CYP8B1 508/4885

“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.