SCHEMBL1969014

SCHEMBL1969014

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(Oc3ccccc3)nc2s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.75
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR6 P50406 1/20 0.33
HPGD P15428 1/20 0.32
CYP2D6 P10635 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
BRD4 O60885 1/20 0.32
CYP8B1 Q9UNU6 1/20 0.32
DPP4 P27487 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
SCHEMBL13459805 0.93 P2RY12 (0.72) P2RY12MEN1KMT2AHTR6CYP8B1
SCHEMBL13459967 0.92 P2RY12 (0.69) P2RY12MEN1KMT2AHTR6DPP4
SCHEMBL1966783 0.92 P2RY12 (0.68) P2RY12MEN1KMT2APARP1PARP2
SCHEMBL1970152 0.91 P2RY12 (0.70) P2RY12MEN1KMT2AHTR6CYP8B1
SCHEMBL1971072 0.91 P2RY12 (0.70) P2RY12MEN1KMT2APARP1PARP2
SCHEMBL1967423 0.91 P2RY12 (0.69) P2RY12MEN1KMT2AHTR6CYP8B1
SCHEMBL1971300 0.91 P2RY12 (0.69) P2RY12MEN1KMT2ANPSR1HTR6
SCHEMBL1968327 0.90 P2RY12 (0.73) P2RY12MEN1KMT2ATP53MAPT
SCHEMBL1968803 0.90 P2RY12 (0.65) P2RY12MEN1KMT2ATP53MAPT
SCHEMBL1970187 0.89 P2RY12 (0.69) P2RY12MEN1KMT2ACYP8B1DPP4

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 127/4885MEN1 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.