SCHEMBL503377

SCHEMBL503377

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
TRPA1 O75762 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
PTGS2 P35354 2/20 0.36
CYP2A6 P11509 1/20 0.36
METAP2 P50579 1/20 0.36
KDM1A O60341 2/20 0.36
HDAC1 Q13547 2/20 0.36
PTGS1 P23219 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
UHRF1 Q96T88 1/20 0.35
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ABL1 P00519 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
SCHEMBL6130784 0.82 CCR1 (0.55) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL12750061 0.81 CCR1 (0.51) CCR1CCR5CCR8KDM1ATGFBR1
SCHEMBL12750066 0.81 KDM4E (0.35) TRPA1TRPV4MPLKDM4ESYK
SCHEMBL10014747 0.81 CCR1 (0.53) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL503501 0.78 CCR1 (0.50) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL12319859 0.78 CCR1 (0.46) CCR1CCR5CCR8PTGS2CYP2A6
SCHEMBL4819036 0.77 MPL (0.49) CCR1CCR5CCR8PTGS2KDM1A
SCHEMBL3445756 0.76 KDM4E (0.42) CCR1CCR5CCR8MPLKDM4E
SCHEMBL12750057 0.75 CCR1 (0.46) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL12828420 0.75 CCR1 (0.46) CCR1CCR5CCR8CYP2A6METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9722191-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 US disclosed
US-20160043330-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-11 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
US-7915414-B2 Blue-emitting organometallic complexes and their application Chi, Yun (TW) 2011-03-29 US disclosed
WO-2010093176-A2 IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DIODES PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2010-08-19 WO 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
US-20080125591-A1 Blue-Emitting Organometallic Complexes And Their Application Chi, Yun (TW) 2008-05-29 US disclosed
US-20080125591-A1 Blue-Emitting Organometallic Complexes And Their Application Chi, Yun (TW) 2008-05-29 US 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 (2 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-20080125591-A1 Blue-Emitting Organometallic Complexes And Their Application CYBA, IK, CRY1 CCR1 4516/4885CCR5 3708/4885CCR8 4712/4885
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.