SCHEMBL1967030

SCHEMBL1967030

CCc1cc2c(N3CCn4cc(C(F)(F)F)nc4C3)nc(Cl)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
P2RY12 Q9H244 4/20 0.41
MEN1 O00255 8/20 0.41
KMT2A Q03164 7/20 0.41
HRH4 Q9H3N8 1/20 0.38
HTT P42858 3/20 0.38
P2RX7 Q99572 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TMIGD3 P0DMS9 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 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
SCHEMBL1969393 0.81 P2RY12 (0.46) HTR6P2RY12MEN1KMT2AHRH4
SCHEMBL13459959 0.81 P2RY12 (0.46) HTR6P2RY12MEN1KMT2AHRH4
SCHEMBL1970024 0.80 P2RY12 (0.62) HTR6P2RY12MEN1KMT2AHRH4
SCHEMBL1966452 0.80 P2RY12 (0.46) HTR6P2RY12MEN1KMT2AHRH4
SCHEMBL1967047 0.80 HTR6 (0.47) HTR6P2RY12MEN1KMT2AHRH4
SCHEMBL1968624 0.80 HTR6 (0.47) HTR6P2RY12MEN1KMT2AHRH4
SCHEMBL13460076 0.78 P2RY12 (0.44) HTR6P2RY12MEN1KMT2AHRH4
SCHEMBL1969602 0.77 P2RY12 (0.53) HTR6P2RY12MEN1KMT2AHRH4
SCHEMBL1968741 0.76 P2RY12 (0.42) HTR6P2RY12MEN1KMT2AHRH4
SCHEMBL12409612 0.76 HTR6 (0.50) HTR6P2RY12MEN1KMT2AHRH4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102149718-A Fused heterocyclic compound LG LIFE SCIENCES LTD (KR) 2011-08-10 CN 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
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 HTR6 3031/4885P2RY12 127/4885MEN1 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.