SCHEMBL1967658

SCHEMBL1967658

CCc1nc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.39
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HDAC6 Q9UBN7 1/20 0.32
PDE5A O76074 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1968194 0.93 P2RY12 (0.43) P2RY12PDE4APDE4BPDE4CPDE4D
SCHEMBL1967427 0.85 P2RY12 (0.42) P2RY12HDAC6KDM4ESMN1; SMN2
SCHEMBL1967244 0.83 P2RY12 (0.54) P2RY12KDM4ERAB9ASMN1; SMN2
SCHEMBL1970332 0.80 P2RY12 (0.63) P2RY12HDAC6KDM4ERAB9ASMN1; SMN2
SCHEMBL1966309 0.80 P2RY12 (0.46) P2RY12PDE4APDE4BPDE4CPDE4D
SCHEMBL1967291 0.80 P2RY12 (0.44) P2RY12HDAC6
SCHEMBL1968611 0.79 P2RY12 (0.57) P2RY12HDAC6KDM4ERAB9ASMN1; SMN2
SCHEMBL1966556 0.79 P2RY12 (0.45) P2RY12HDAC6
SCHEMBL1967160 0.78 P2RY12 (0.50) P2RY12HDAC6KDM4ERAB9ASMN1; SMN2
SCHEMBL1969136 0.77 P2RY12 (0.47) P2RY12KDM4EMAPTRAB9ASMN1; SMN2

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 127/4885PDE4A 1396/4885PDE4B 823/4885

“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.