SCHEMBL646630

SCHEMBL646630

Brc1ccc(-c2ccccc2)nc1.Brc1ccc(-c2ccccc2)nc1.[Ir].c1ccc(-c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
HPGDS O60760 1/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
TP53 P04637 3/20 0.44
PKM P14618 3/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL1182292 0.89 LDHA (0.52) HPGDSKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL40547 0.87 KDM4E (0.61) CYP2A6HPGDSKDM4ELMNACYP1A2
SCHEMBL29419035 0.87 KDM4E (0.61) CYP2A6HPGDSKDM4ELMNACYP1A2
SCHEMBL12523554 0.85 MAPK1 (0.56) HPGDSRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL15747736 0.83 NPC1 (0.53) HPGDSKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL3341229 0.83 KDM4E (0.54) CYP2A6KDM4ELMNACYP1A2POLB
SCHEMBL301762 0.82 KDM4E (0.65) CYP2A6KDM4ELMNACYP1A2POLB
SCHEMBL3985205 0.82 KDM4E (0.65) CYP2A6KDM4ELMNACYP1A2POLB
SCHEMBL29461566 0.82 KDM4E (0.65) CYP2A6KDM4ELMNACYP1A2POLB
SCHEMBL51343 0.82 KDM4E (0.65) CYP2A6KDM4ELMNACYP1A2POLB

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-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION 2012-05-03 US disclosed
US-8119255-B2 First and second electrode; a first organic layer between the electrodes; the first organic layer is a non-electroluminescent, cross-linked metal complex; and a second organic layer is an emissive electroluminescent organic material UNIVERSAL DISPLAY CORPORATION (US) 2012-02-21 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
WO-2008073440-A2 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2008-06-19 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 (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-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same MTCL3, LIG4, L1CAM CYP2A6 2031/4885HPGDS 4117/4885KDM4E 2803/4885
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME MTCL3, LIG4, L1CAM CYP2A6 2031/4885HPGDS 4117/4885KDM4E 2803/4885

“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.