SCHEMBL1968104

SCHEMBL1968104

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCC[C@@H](N)C3)nc2s1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.63
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IDH2 P48735 1/20 0.35
IKBKB O14920 1/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1B P35368 2/20 0.33
ADRA1A P35348 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.32
DPP4 P27487 2/20 0.32
FAP Q12884 1/20 0.32
HTR6 P50406 1/20 0.32
CAMK1D Q8IU85 1/20 0.32

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
SCHEMBL12409287 1.00 P2RY12 (0.63) P2RY12MEN1KMT2AIDH2IKBKB
SCHEMBL1966680 1.00 P2RY12 (0.63) P2RY12MEN1KMT2AIDH2IKBKB
SCHEMBL1966682 1.00 P2RY12 (0.63) P2RY12MEN1KMT2AIDH2IKBKB
SCHEMBL1967725 0.96 P2RY12 (0.64) P2RY12MEN1KMT2AIKBKBCYP8B1
SCHEMBL1968063 0.96 P2RY12 (0.64) P2RY12MEN1KMT2AIKBKBCYP8B1
SCHEMBL1967724 0.96 P2RY12 (0.64) P2RY12MEN1KMT2AIKBKBCYP8B1
SCHEMBL13460040 0.91 P2RY12 (0.64) P2RY12MEN1KMT2ACYP8B1
SCHEMBL1967498 0.91 P2RY12 (0.65) P2RY12MEN1KMT2ACYP8B1DPP4
SCHEMBL1968587 0.91 P2RY12 (0.63) P2RY12MEN1KMT2AIDH2IKBKB
SCHEMBL1967009 0.90 P2RY12 (0.66) P2RY12MEN1KMT2ACYP8B1DPP4

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
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

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 127/4885MEN1 849/4885KMT2A 4236/4885

“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.