SCHEMBL1969002

SCHEMBL1969002

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C)CC3)nc2s1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.69
HTR6 P50406 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HRH4 Q9H3N8 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
HRH1 P35367 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
SCHEMBL1970626 0.95 P2RY12 (0.62) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL1974132 0.94 P2RY12 (0.73) P2RY12HTR6MEN1KMT2ASMN1; SMN2
SCHEMBL12491713 0.94 P2RY12 (0.70) P2RY12HTR6MEN1KMT2ASMN1; SMN2
SCHEMBL1967555 0.93 P2RY12 (0.60) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL1972930 0.93 P2RY12 (0.59) P2RY12HTR6MEN1KMT2AHRH4
SCHEMBL1967582 0.92 P2RY12 (0.68) P2RY12HTR6MEN1KMT2AKDM4E
SCHEMBL12409380 0.91 P2RY12 (0.65) P2RY12HTR6MEN1KMT2ASMN1; SMN2
SCHEMBL1969201 0.91 P2RY12 (0.67) P2RY12HTR6MEN1KMT2ASMN1; SMN2
SCHEMBL1968085 0.91 P2RY12 (0.67) P2RY12HTR6MEN1KMT2AHTT
SCHEMBL1966804 0.91 P2RY12 (0.66) P2RY12HTR6MEN1KMT2AHTT

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 3031/4885MEN1 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.