SCHEMBL3377591

SCHEMBL3377591

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3nc(-c4ccccc4)no3)nc2s1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 13/20 0.62
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR1 P21453 4/20 0.36
CYP2D6 P10635 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL1971439 0.90 P2RY12 (0.63) P2RY12HPGDMEN1KMT2ACYP2D6
SCHEMBL1967090 0.89 P2RY12 (0.64) P2RY12HPGDMEN1KMT2A
SCHEMBL1966980 0.87 P2RY12 (0.63) P2RY12HPGDMEN1KMT2A
SCHEMBL1969538 0.85 P2RY12 (0.64) P2RY12MEN1KMT2A
SCHEMBL1971977 0.85 P2RY12 (0.61) P2RY12MEN1KMT2A
SCHEMBL1967245 0.85 P2RY12 (0.60) P2RY12HPGDMEN1KMT2A
SCHEMBL1967363 0.84 P2RY12 (0.65) P2RY12HPGDMEN1KMT2A
SCHEMBL1968871 0.83 P2RY12 (0.64) P2RY12HPGDMEN1KMT2A
SCHEMBL1973872 0.83 P2RY12 (0.64) P2RY12HPGDMEN1KMT2A
SCHEMBL1967936 0.82 P2RY12 (0.72) P2RY12MEN1KMT2A

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 4 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
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 127/4885HPGD 375/4885MEN1 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.