SCHEMBL504223

SCHEMBL504223

COc1ccnc(-c2nc(C(F)(F)F)n[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.51
CCR5 P51681 1/20 0.51
CCR8 P51685 1/20 0.51
CBFB Q13951 2/20 0.43
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
DYRK1A Q13627 1/20 0.38
SYK P43405 6/20 0.37
PLAU P00749 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RUNX1 Q01196 1/20 0.36
LRRK2 Q5S007 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
PIM1 P11309 1/20 0.35
P2RX7 Q99572 1/20 0.34
CYP1A1 P04798 1/20 0.34

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
SCHEMBL503528 0.81 CCR1 (0.47) CCR1CCR5CCR8NOS3NOS1
SCHEMBL14460983 0.79 METAP2 (0.36) CBFBNOS3NOS2NPC1RAB9A
SCHEMBL12750071 0.78 NPC1 (0.32) NPC1RAB9ANR1H2NR1H3PIM1
SCHEMBL29756493 0.78 METAP2 (0.36) CBFBNOS3NOS2NPC1RAB9A
SCHEMBL31406166 0.75 KDM4E (0.59) DYRK1ANPC1RAB9ANR1H2NR1H3
SCHEMBL18678742 0.73 CCR1 (0.53) CCR1CCR5CCR8CBFBNOS3
SCHEMBL503439 0.73 L3MBTL1 (0.60) CCR1CCR5CCR8CBFBPLAU
SCHEMBL12750083 0.73 NPC1 (0.37) CBFBPLAUNPC1RAB9A
SCHEMBL18678649 0.73 KDM5B (0.31)
SCHEMBL29635188 0.72 L3MBTL1 (0.58) CCR1CCR5CCR8CBFBPLAU

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand SOLVAY SA (BE) 2012-02-02 US disclosed
EP-2393820-A1 PHOSPHORESCENT LIGHT-EMITTING IRIDIUM COMPLEX CONTAINING PYRIDYLTRIAZOLE LIGAND Solvay SA (BE) 2011-12-14 EP disclosed
WO-2010090362-A1 PHOSPHORESCENT LIGHT-EMITTING IRIDIUM COMPLEX CONTAINING PYRIDYLTRIAZOLE LIGAND PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2010-08-12 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-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand PPIP5K2, HPRT1, PHPT1 CCR1 3890/4885CCR5 3260/4885CCR8 3813/4885

“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.