SCHEMBL1966388

SCHEMBL1966388

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3nc(C(=O)OCC)cs3)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.59
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
CYP8B1 Q9UNU6 2/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CLK1 P49759 1/20 0.33
CYP19A1 P11511 1/20 0.33
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOTUM Q6P988 1/20 0.32
OGA O60502 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1970527 0.92 P2RY12 (0.61) P2RY12MEN1KMT2ACYP8B1NOTUM
SCHEMBL1966186 0.89 P2RY12 (0.58) P2RY12MEN1KMT2AGAACYP8B1
SCHEMBL1967726 0.87 P2RY12 (0.58) P2RY12MEN1KMT2AGAACYP8B1
SCHEMBL1967701 0.87 P2RY12 (0.60) P2RY12MEN1KMT2AGAACYP8B1
SCHEMBL1968763 0.87 P2RY12 (0.59) P2RY12MEN1KMT2AGAACYP8B1
SCHEMBL1967353 0.86 P2RY12 (0.63) P2RY12MEN1KMT2APARP1PARP2
SCHEMBL1968631 0.86 P2RY12 (0.67) P2RY12MEN1KMT2ACYP8B1MAPT
SCHEMBL1966781 0.85 P2RY12 (0.64) P2RY12MEN1KMT2APARP1PARP2
SCHEMBL1967258 0.81 P2RY12 (0.59) P2RY12MEN1KMT2ACYP8B1NPC1
SCHEMBL1969107 0.81 P2RY12 (0.65) P2RY12MEN1KMT2ACYP8B1MAPT

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.