SCHEMBL1969362

SCHEMBL1969362

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCCO)nc2s1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.88
MEN1 O00255 7/20 0.42
KMT2A Q03164 5/20 0.42
HDAC6 Q9UBN7 1/20 0.33
HTR6 P50406 1/20 0.32
NOTUM Q6P988 1/20 0.32
BRD4 O60885 1/20 0.31
DPP4 P27487 2/20 0.31
CYP8B1 Q9UNU6 1/20 0.30

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
SCHEMBL1965588 0.96 P2RY12 (0.89) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1969565 0.94 P2RY12 (0.89) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1970138 0.93 P2RY12 (1.00) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1966394 0.93 P2RY12 (0.89) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1970189 0.92 P2RY12 (0.88) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1966666 0.91 P2RY12 (0.81) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1971875 0.91 P2RY12 (0.86) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1966602 0.91 P2RY12 (0.89) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1970603 0.91 P2RY12 (0.85) P2RY12MEN1KMT2AHDAC6HTR6
SCHEMBL1968743 0.90 P2RY12 (0.85) P2RY12MEN1KMT2AHDAC6NOTUM

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.