SCHEMBL29404682

SCHEMBL29404682

Cc1cccnc1-c1ccccc1.Cc1cccnc1-c1ccccc1.Cc1cccnc1-c1ccccc1.[Ir+3]

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.66
TRPV1 Q8NER1 7/20 0.46
METAP2 P50579 1/20 0.46
CNR2 P34972 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PDE10A Q9Y233 2/20 0.43
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL29986300 1.00 CYP2A6 (0.66) CYP2A6TRPV1METAP2CNR2NOS3
SCHEMBL31419878 1.00 CYP2A6 (0.66) CYP2A6TRPV1METAP2CNR2NOS3
SCHEMBL30288380 1.00 CYP2A6 (0.66) CYP2A6TRPV1METAP2CNR2NOS3
SCHEMBL32509667 0.98 CYP2A6 (0.68) CYP2A6TRPV1METAP2CNR2NOS3
SCHEMBL64623 0.98 CYP2A6 (0.68) CYP2A6TRPV1METAP2CNR2NOS3
SCHEMBL27752948 0.96 CYP2A6 (0.66) CYP2A6TRPV1METAP2CNR2NOS3
SCHEMBL31275383 0.96 CYP2A6 (0.66) CYP2A6TRPV1METAP2CNR2NOS3
SCHEMBL117358 0.96 CYP2A6 (0.66) CYP2A6TRPV1METAP2CNR2NOS3
SCHEMBL13834139 0.94 CYP2A6 (0.63) CYP2A6TRPV1METAP2CNR2NOS3
Pyridine SCHEMBL28163766 0.90 CYP2A6 (0.70) CYP2A6TRPV1METAP2CNR2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250107429-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-03-27 US disclosed
US-20240407244-A1 MIXED POWDER FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD FOR PRODUCING THE SAME, METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE BY USING THE MIXED POWDER, METHOD FOR SELECTING COMPOUNDS IN THE MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION IDEMITSU KOSAN CO.,LTD. (JP) 2024-12-05 US disclosed
US-20240334814-A1 MIXED POWDER, MIXTURE, AND METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2024-10-03 US disclosed
US-12082493-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2024-09-03 US disclosed
US-20240260448-A1 Metal Complexes UDC IRELAND LIMITED (IE) 2024-08-01 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-20230324819-A1 LAMINATE, DEVICE USING THE SAME, AND PRODUCTION METHODS THEREOF RICOH COMPANY, LTD. (JP) 2023-10-12 US disclosed
US-20230320196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-05 US disclosed
EP-3548481-B1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
US-11690286-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-06-27 US disclosed
WO-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 WO disclosed
US-20230001447-A1 MIXED POWDER, METHOD OF VAPOR-DEPOSITING ORGANIC COMPOUND, METHOD OF FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE, METHOD OF SELECTING ORGANIC COMPOUNDS, AND METHOD OF VAPOR-DEPOSITING IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-05 US disclosed
WO-2022270430-A1 MIXED POWDER, MIXTURE, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2022-12-29 WO disclosed
WO-2022244864-A1 MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD 出光興産株式会社 2022-11-24 WO disclosed
US-11411182-B1 Mixed powder for organic electroluminescence device and method of producing the same, method of fabricating organic electroluminescence device using the mixed powder, method of selecting compounds for the mixed powder, and composition for vacuum vapor deposition IDEMITSU KOSAN CO., LTD. (JP) 2022-08-09 US disclosed
WO-2022038984-A1 LAMINATE, DEVICE USING THE SAME, AND PRODUCTION METHODS THEREOF RICOH COMPANY, LTD. (JP) 2022-02-24 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 (7 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-12082493-B2 Organic electroluminescent materials and devices NONO, ORC3, TYR CYP2A6 2200/4885TRPV1 1950/4885METAP2 2326/4885
US-20230320196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NONO, ORC3, TYR CYP2A6 2200/4885TRPV1 1950/4885METAP2 2326/4885
US-20240334814-A1 MIXED POWDER, MIXTURE, AND METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE EML4, ORC3, ZRANB2 CYP2A6 4258/4885TRPV1 1338/4885METAP2 3903/4885
US-11690286-B2 Organic electroluminescent materials and devices NONO, ORC3, LEF1 CYP2A6 1944/4885TRPV1 1996/4885METAP2 2916/4885
US-20250107429-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NSD3, CCND3, DRD3 CYP2A6 3489/4885TRPV1 833/4885METAP2 3665/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 CYP2A6 4244/4885TRPV1 2804/4885METAP2 802/4885
US-20240260448-A1 Metal Complexes SOD1, AP1M1, AP3M1 CYP2A6 3927/4885TRPV1 1394/4885METAP2 1998/4885

“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.