SCHEMBL1968611

SCHEMBL1968611

CCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.57
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HDAC6 Q9UBN7 1/20 0.33
IKBKB O14920 2/20 0.33
KDM4E B2RXH2 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
HTR6 P50406 1/20 0.31
SCN9A Q15858 1/20 0.31
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30

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
SCHEMBL1970332 0.95 P2RY12 (0.63) P2RY12MEN1KMT2AHDAC6IKBKB
SCHEMBL1967244 0.92 P2RY12 (0.54) P2RY12MEN1KMT2AKDM4ETMIGD3
SCHEMBL1968268 0.91 P2RY12 (0.54) P2RY12MEN1KMT2AHDAC6KDM4E
SCHEMBL1970110 0.89 P2RY12 (0.55) P2RY12MEN1KMT2AIKBKBKDM4E
SCHEMBL1967160 0.88 P2RY12 (0.50) P2RY12MEN1KMT2AHDAC6KDM4E
SCHEMBL1966309 0.86 P2RY12 (0.46) P2RY12HDAC6KDM4EPARP1PARP2
SCHEMBL1970626 0.86 P2RY12 (0.62) P2RY12MEN1KMT2AHDAC6KDM4E
SCHEMBL1974132 0.86 P2RY12 (0.73) P2RY12MEN1KMT2AHDAC6KDM4E
SCHEMBL1969136 0.86 P2RY12 (0.47) P2RY12MEN1KMT2AKDM4ETMIGD3
SCHEMBL1964366 0.85 P2RY12 (0.64) P2RY12MEN1KMT2AHDAC6KDM4E

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 849/4885KMT2A 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.