SCHEMBL503501

SCHEMBL503501

Cc1ccnc(-c2ccc(F)c(I)c2F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
CYP2A6 P11509 1/20 0.38
METAP2 P50579 1/20 0.38
UHRF1 Q96T88 1/20 0.37
KDM1A O60341 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TGFBR1 P36897 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HCRTR1 O43613 2/20 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
SCHEMBL6130784 0.85 CCR1 (0.55) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL10014747 0.83 CCR1 (0.53) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL503377 0.78 CCR1 (0.47) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL12750057 0.77 CCR1 (0.46) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL12828420 0.77 CCR1 (0.46) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL29766750 0.75 CCR1 (0.55) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL16910413 0.75 CCR1 (0.55) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL503953 0.75 CCR1 (0.55) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL27930215 0.75 CCR1 (0.55) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL10014738 0.73 HDAC1 (0.47) CCR1CCR5CCR8CYP2A6KDM1A

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 5 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
US-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand SOLVAY SA (BE) 2012-02-02 US disclosed
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.