SCHEMBL1966894

SCHEMBL1966894

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.43
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TMIGD3 P0DMS9 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE10A Q9Y233 1/20 0.33
P2RX7 Q99572 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
PDE5A O76074 1/20 0.31

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
SCHEMBL1966032 0.94 P2RY12 (0.42) P2RY12HTR6MEN1KMT2APDE10A
SCHEMBL1967955 0.92 P2RY12 (0.43) P2RY12HTR6KDM4ERAB9ASMN1; SMN2
SCHEMBL1967646 0.89 P2RY12 (0.43) P2RY12HTR6KDM4ERAB9ASMN1; SMN2
SCHEMBL1968273 0.88 P2RY12 (0.51) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1967591 0.86 P2RY12 (0.43) P2RY12HTR6KDM4ERAB9ASMN1; SMN2
SCHEMBL1965691 0.86 P2RY12 (0.42) P2RY12KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL1968516 0.85 P2RY12 (0.44) P2RY12HTR6KDM4ERAB9ASMN1; SMN2
SCHEMBL1968844 0.82 P2RY12 (0.50) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1969163 0.82 HTR6 (0.47) P2RY12HTR6KDM4ERAB9ASMN1; SMN2
SCHEMBL1969007 0.79 P2RY12 (0.46) P2RY12HTR6KDM4ERAB9ASMN1; 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 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
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.