SCHEMBL1968122

SCHEMBL1968122

CCc1cc2c(N3CCc4[nH]ncc4C3)nc(N3CCNC(=O)C3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.46
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 1/20 0.37
PIK3CA P42336 2/20 0.37
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
S1PR1 P21453 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HTT P42858 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
SCHEMBL1966828 0.86 P2RY12 (0.53) P2RY12HTR6KDM4ETMIGD3RAB9A
SCHEMBL1969825 0.83 P2RY12 (0.46) P2RY12HTR6KDM4ETMIGD3RAB9A
SCHEMBL1968516 0.81 P2RY12 (0.44) P2RY12HTR6KDM4ETMIGD3RAB9A
SCHEMBL1972065 0.81 HTR6 (0.46) P2RY12HTR6KDM4ETMIGD3RAB9A
SCHEMBL1969007 0.80 P2RY12 (0.46) P2RY12HTR6KDM4ETMIGD3RAB9A
SCHEMBL1965500 0.78 P2RY12 (0.49) P2RY12KDM4ETMIGD3RAB9ASMN1; SMN2
SCHEMBL1966322 0.78 P2RY12 (0.51) P2RY12HTR6KDM4ETMIGD3RAB9A
SCHEMBL1969862 0.77 P2RY12 (0.48) P2RY12HTR6KDM4ETMIGD3RAB9A
SCHEMBL1970562 0.77 P2RY12 (0.48) P2RY12HTR6KDM4ETMIGD3RAB9A
SCHEMBL1967292 0.77 P2RY12 (0.45) P2RY12HTR6KDM4ETMIGD3RAB9A

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 127/4885HTR6 3031/4885KDM4E 3758/4885

“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.