SCHEMBL1968133

SCHEMBL1968133

CCCc1nc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC(C(=O)O)C3)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.41
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDH2 P48735 1/20 0.36
DPP4 P27487 3/20 0.35
PDE5A O76074 1/20 0.33
CYP8B1 Q9UNU6 6/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL1968129 1.00 P2RY12 (0.41) P2RY12KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1970060 0.92 P2RY12 (0.41) P2RY12KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1970061 0.92 P2RY12 (0.41) P2RY12KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1968830 0.85 P2RY12 (0.43) P2RY12DPP4CYP8B1
SCHEMBL1968832 0.85 P2RY12 (0.43) P2RY12DPP4CYP8B1
SCHEMBL1968023 0.85 P2RY12 (0.60) P2RY12KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1968545 0.81 P2RY12 (0.61) P2RY12KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1968542 0.81 P2RY12 (0.61) P2RY12KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1968784 0.81 P2RY12 (0.61) P2RY12KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1968194 0.80 P2RY12 (0.43) P2RY12DPP4HDAC6

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 3 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
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

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 3758/4885MEN1 849/4885

“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.