SCHEMBL1967591

SCHEMBL1967591

CCc1cc2c(N3CCc4c(nc(-c5ccoc5)nc4C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.43
TMIGD3 P0DMS9 2/20 0.38
ADORA1 P30542 1/20 0.38
TRPV1 Q8NER1 2/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR6 P50406 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1968273 0.91 P2RY12 (0.51) P2RY12MEN1KMT2AMAPTKDM4E
SCHEMBL1966894 0.86 P2RY12 (0.43) P2RY12TMIGD3MEN1KMT2AKDM4E
SCHEMBL1967955 0.86 P2RY12 (0.43) P2RY12TMIGD3MEN1KMT2AMAPT
SCHEMBL1968844 0.85 P2RY12 (0.50) P2RY12MEN1KMT2AMAPTKDM4E
SCHEMBL1966501 0.84 TMIGD3 (0.37) P2RY12TMIGD3ADORA1TRPV1MEN1
SCHEMBL1967646 0.83 P2RY12 (0.43) P2RY12TMIGD3MEN1KMT2AMAPT
SCHEMBL1965691 0.81 P2RY12 (0.42) P2RY12MEN1KMT2AMAPTKDM4E
SCHEMBL1966032 0.81 P2RY12 (0.42) P2RY12TRPV1MEN1KMT2AHTR6
SCHEMBL1968516 0.79 P2RY12 (0.44) P2RY12TMIGD3MEN1KMT2AKDM4E
SCHEMBL13460011 0.78 P2RY12 (0.43) P2RY12TMIGD3ADORA1TRPV1MEN1

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 127/4885TMIGD3 2869/4885ADORA1 715/4885

“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.