SCHEMBL1972107

SCHEMBL1972107

CC(C)c1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C)CC3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.49
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
WHR1 P49842 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
HTR6 P50406 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH1 P35367 1/20 0.33
MAPK1 P28482 2/20 0.32
DPP4 P27487 2/20 0.32
HTR3A P46098 1/20 0.32
CYP3A4 P08684 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
SCHEMBL1966556 0.86 P2RY12 (0.45) P2RY12MEN1KMT2ADPP4MGAT2
SCHEMBL1968886 0.86 P2RY12 (0.51) P2RY12MEN1KMT2ADPP4CYP8B1
SCHEMBL1972930 0.85 P2RY12 (0.59) P2RY12MEN1SMN1; SMN2KMT2AKDM4E
SCHEMBL1969002 0.84 P2RY12 (0.69) P2RY12MEN1SMN1; SMN2KMT2AKDM4E
SCHEMBL1970626 0.82 P2RY12 (0.62) P2RY12MEN1SMN1; SMN2KMT2AKDM4E
SCHEMBL1969134 0.80 P2RY12 (0.49) P2RY12MEN1DPP4
SCHEMBL1974132 0.77 P2RY12 (0.73) P2RY12MEN1SMN1; SMN2KMT2AKDM4E
SCHEMBL12491713 0.77 P2RY12 (0.70) P2RY12MEN1SMN1; SMN2KMT2AKDM4E
SCHEMBL1967555 0.77 P2RY12 (0.60) P2RY12MEN1SMN1; SMN2KMT2AKDM4E
SCHEMBL1970994 0.76 P2RY12 (0.57) P2RY12MEN1SMN1; SMN2KMT2AKDM4E

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 127/4885MEN1 849/4885SMN1; SMN2 4439/4885

“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.