SCHEMBL1968631

SCHEMBL1968631

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.67
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP8B1 Q9UNU6 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NOTUM Q6P988 1/20 0.35
HTR6 P50406 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL1968237 0.91 P2RY12 (0.69) P2RY12MEN1KMT2ACYP8B1NOTUM
SCHEMBL1968172 0.89 P2RY12 (0.60) P2RY12MEN1KMT2ACYP8B1
SCHEMBL1967491 0.89 P2RY12 (0.61) P2RY12MEN1KMT2ACYP8B1KDM4E
SCHEMBL1968627 0.89 P2RY12 (0.67) P2RY12MEN1KMT2ACYP8B1NOTUM
SCHEMBL2200174 0.88 P2RY12 (0.65) P2RY12MEN1KMT2ACYP8B1HDAC6
SCHEMBL1966872 0.87 P2RY12 (0.61) P2RY12MEN1KMT2ACYP8B1HDAC6
SCHEMBL1969782 0.87 P2RY12 (0.59) P2RY12MEN1KMT2ACYP8B1NOTUM
SCHEMBL1969107 0.87 P2RY12 (0.65) P2RY12MEN1KMT2ACYP8B1KDM4E
SCHEMBL1968416 0.86 P2RY12 (0.64) P2RY12MEN1KMT2ACYP8B1KDM4E
SCHEMBL1972681 0.86 P2RY12 (0.67) P2RY12MEN1KMT2ACYP8B1NOTUM

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.