SCHEMBL1968803

SCHEMBL1968803

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(Oc3cccc(N4CCNCC4)c3)nc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.65
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GUSB P08236 12/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 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
ADRB1 P08588 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2C P28335 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL1968718 0.93 P2RY12 (0.67) P2RY12MEN1KMT2AMAPTTP53
SCHEMBL13459967 0.90 P2RY12 (0.69) P2RY12MEN1KMT2A
SCHEMBL1969014 0.90 P2RY12 (0.75) P2RY12MEN1KMT2AMAPTTP53
SCHEMBL1967742 0.88 P2RY12 (0.66) P2RY12MEN1KMT2ATIPARP
SCHEMBL1966783 0.88 P2RY12 (0.68) P2RY12MEN1KMT2ATIPARP
SCHEMBL1968163 0.87 P2RY12 (0.60) P2RY12MEN1KMT2AMAPTTIPARP
SCHEMBL1968652 0.85 P2RY12 (0.69) P2RY12MEN1KMT2A
SCHEMBL1968114 0.85 P2RY12 (0.65) P2RY12MEN1KMT2ATIPARP
SCHEMBL13459805 0.84 P2RY12 (0.72) P2RY12MEN1KMT2A
SCHEMBL1971300 0.84 P2RY12 (0.69) P2RY12MEN1KMT2ANPSR1ALDH1A1

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.