SCHEMBL1966481

SCHEMBL1966481

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC(CO)C3)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.61
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KHK P50053 1/20 0.34
CYP8B1 Q9UNU6 3/20 0.33
MTOR P42345 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1968587 0.91 P2RY12 (0.63) P2RY12KMT2AMEN1CYP8B1
SCHEMBL13460040 0.90 P2RY12 (0.64) P2RY12KMT2AMEN1CYP8B1
SCHEMBL1968104 0.89 P2RY12 (0.63) P2RY12KMT2AMEN1CYP8B1
SCHEMBL12409287 0.89 P2RY12 (0.63) P2RY12KMT2AMEN1CYP8B1
SCHEMBL1966682 0.89 P2RY12 (0.63) P2RY12KMT2AMEN1CYP8B1
SCHEMBL1966680 0.89 P2RY12 (0.63) P2RY12KMT2AMEN1CYP8B1
SCHEMBL1968023 0.89 P2RY12 (0.60) P2RY12KMT2AMEN1CYP8B1
SCHEMBL1967340 0.88 P2RY12 (0.64) P2RY12KMT2AMEN1CYP8B1
SCHEMBL1968246 0.88 P2RY12 (0.64) P2RY12KMT2AMEN1CYP8B1
SCHEMBL1967523 0.88 P2RY12 (0.64) P2RY12KMT2AMEN1CYP8B1

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 5 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

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 127/4885KMT2A 4236/4885MEN1 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.