SCHEMBL1968763

SCHEMBL1968763

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(Nc3nc(C(=O)OCC)cs3)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.59
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.35
CYP8B1 Q9UNU6 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL1967008 0.92 P2RY12 (0.61) P2RY12MEN1KMT2A
SCHEMBL1966388 0.87 P2RY12 (0.59) P2RY12CYP1A2CYP2C19MAPTNPSR1
SCHEMBL1967726 0.85 P2RY12 (0.58) P2RY12CYP1A2CYP2C19KDM4ELMNA
SCHEMBL1968631 0.84 P2RY12 (0.67) P2RY12KDM4ELMNAMAPTNPSR1
SCHEMBL1966569 0.84 P2RY12 (0.63) P2RY12MEN1KMT2ACYP8B1
SCHEMBL1967863 0.82 P2RY12 (0.66) P2RY12MEN1KMT2A
SCHEMBL1967929 0.82 P2RY12 (0.65) P2RY12MEN1KMT2A
SCHEMBL1969029 0.81 P2RY12 (0.65) P2RY12KDM4EMEN1KMT2AALDH1A1
SCHEMBL1970796 0.80 P2RY12 (0.65) P2RY12KDM4ELMNAMAPTNPSR1
SCHEMBL1970227 0.80 P2RY12 (0.68) P2RY12MEN1KMT2ACYP8B1

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 127/4885CYP1A2 269/4885CYP2C19 38/4885

“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.