SCHEMBL1968273

SCHEMBL1968273

CCc1cc2c(N3CCc4c(nc(-c5ccccc5)nc4C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 15/20 0.51
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1968844 0.94 P2RY12 (0.50) P2RY12MAPTMEN1SMN1; SMN2KDM4E
SCHEMBL1967591 0.91 P2RY12 (0.43) P2RY12MAPTMEN1SMN1; SMN2KDM4E
SCHEMBL1966894 0.88 P2RY12 (0.43) P2RY12MEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1967955 0.88 P2RY12 (0.43) P2RY12MAPTMEN1SMN1; SMN2KDM4E
SCHEMBL1967646 0.85 P2RY12 (0.43) P2RY12MAPTMEN1SMN1; SMN2KDM4E
SCHEMBL1966749 0.83 P2RY12 (0.43) P2RY12MAPTMEN1SMN1; SMN2KMT2A
SCHEMBL1966032 0.82 P2RY12 (0.42) P2RY12MEN1KMT2A
SCHEMBL1965691 0.82 P2RY12 (0.42) P2RY12MAPTMEN1SMN1; SMN2KDM4E
SCHEMBL1968516 0.81 P2RY12 (0.44) P2RY12MEN1SMN1; SMN2KDM4EKMT2A
SCHEMBL1966828 0.79 P2RY12 (0.53) P2RY12MAPTMEN1SMN1; SMN2KDM4E

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 127/4885MAPT 4280/4885MEN1 849/4885

“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.