SCHEMBL1968795

SCHEMBL1968795

CCCc1cc2c(N3CCn4c(C)nnc4C3)nc(OCC3COC(C)(C)OC3)nc2s1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.57
MEN1 O00255 7/20 0.38
KMT2A Q03164 4/20 0.38
HTR6 P50406 1/20 0.34
HTT P42858 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL1971594 0.91 P2RY12 (0.55) P2RY12MEN1KMT2AHTR6
SCHEMBL1972044 0.89 P2RY12 (0.74) P2RY12MEN1KMT2AHTR6HTT
SCHEMBL1968610 0.83 P2RY12 (0.69) P2RY12MEN1KMT2AHTR6HTT
SCHEMBL1968560 0.82 P2RY12 (0.68) P2RY12MEN1KMT2AHTR6HTT
SCHEMBL1966809 0.81 P2RY12 (0.71) P2RY12MEN1KMT2A
SCHEMBL1966901 0.81 P2RY12 (0.59) P2RY12MEN1KMT2AHTR6HRH4
SCHEMBL1967907 0.80 P2RY12 (0.59) P2RY12MEN1KMT2AHTR6
SCHEMBL1965282 0.80 P2RY12 (0.62) P2RY12MEN1KMT2A
SCHEMBL1972794 0.80 P2RY12 (0.64) P2RY12MEN1KMT2AHTR6HTT
SCHEMBL1969457 0.79 P2RY12 (0.64) P2RY12MEN1KMT2AHTR6

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 127/4885MEN1 849/4885KMT2A 4236/4885

“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.