SCHEMBL732365

SCHEMBL732365

c1ccc2cc(-c3nc4ccccc4c4ccccc34)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.46
ADORA1 P30542 2/20 0.46
DHODH Q02127 1/20 0.45
HTR2B P41595 1/20 0.44
HTR5A P47898 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
GPR3 P46089 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
NUDT1 P36639 1/20 0.42
GSTP1 P09211 1/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 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
SCHEMBL12578089 0.89 ESR1 (0.43) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL12578148 0.88 ESR1 (0.42) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL12578107 0.87 ESR1 (0.44) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18201037 0.85 ADORA2A (0.40) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18935318 0.85 MEN1 (0.47) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL12578161 0.85 ESR1 (0.43) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL17914708 0.84 ADORA2A (0.43) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL12578127 0.84 ESR1 (0.42) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL12578662 0.83 ESR1 (0.41) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL12578122 0.83 ESR1 (0.41) ADORA2AADORA1DHODHHTR2BHTR5A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106164033-B The raw material and manufacturing method of cyclometalated iridium complexes 国立研究开发法人产业技术综合研究所 2019-04-19 CN disclosed
US-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2019-03-12 US disclosed
US-20180362565-A1 METHOD FOR PRODUCING CYCLOMETALATED IRIDIUM COMPLEX TANAKA KIKINZOKU KOGYO K.K. (JP) 2018-12-20 US disclosed
CN-108463465-A Method for producing cyclometalated iridium complex 国立研究开发法人产业技术综合研究所 2018-08-28 CN disclosed
US-10053479-B2 Raw material and production method for cyclometalated iridium complex TANAKA KIKINZOKU KOGYO K.K. (JP) 2018-08-21 US disclosed
EP-2673284-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-08-30 EP disclosed
EP-2882764-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-03-01 EP disclosed
EP-2882823-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-02-22 EP disclosed
EP-2880042-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-02-01 EP disclosed
CN-106164033-A The raw material of cyclometalated iridium complexes and manufacture method 国立研究开发法人产业技术综合研究所 2016-11-23 CN disclosed
EP-2471800-B1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME NAT INST OF ADVANCED IND SCIEN (JP) 2014-01-15 EP disclosed
US-20120211707-A1 METAL COMPLEX COMPOSITION AND COMPLEX POLYMER NATIONAL INST. OF ADV. IND. SCI. AND TECH. (JP) 2012-08-23 US disclosed
US-20120211707-A1 METAL COMPLEX COMPOSITION AND COMPLEX POLYMER NATIONAL INST. OF ADV. IND. SCI. AND TECH. (JP) 2012-08-23 US disclosed
US-20120208999-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2012-08-16 US disclosed
US-20120208999-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2012-08-16 US disclosed
WO-2012107419-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2012-08-16 WO disclosed
EP-2471800-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME National Institute of Advanced Industrial Science And Technology (JP) 2012-07-04 EP disclosed
EP-2471889-A1 METAL COMPLEX COMPOSITION AND COMPLEX POLYMER Sumitomo Chemical Company, Limited (JP) 2012-07-04 EP disclosed
US-8136974-B2 Metal coordination compound and light-emitting material containing the same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2012-03-20 US disclosed
US-20100317858-A1 METAL COORDINATION COMPOUND AND LIGHT-EMITTING MATERIAL CONTAINING THE SAME NATIONAL INSTITUTE OF ADVANCE INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-12-16 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 (5 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-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels HLCS, PDCD2L, LAS1L ADORA2A 4684/4885ADORA1 4467/4885DHODH 2767/4885
US-20180362565-A1 METHOD FOR PRODUCING CYCLOMETALATED IRIDIUM COMPLEX PRKCA, PRKACG, PRKACB ADORA2A 280/4885ADORA1 297/4885DHODH 773/4885
US-20100317858-A1 METAL COORDINATION COMPOUND AND LIGHT-EMITTING MATERIAL CONTAINING THE SAME CRY1, SOD1, L1CAM ADORA2A 3736/4885ADORA1 3221/4885DHODH 2568/4885
US-20120208999-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME LUC7L2, CRY1, INTS9 ADORA2A 4336/4885ADORA1 3981/4885DHODH 2160/4885
US-10053479-B2 Raw material and production method for cyclometalated iridium complex DTYMK, IPO5, IPMK ADORA2A 3173/4885ADORA1 2690/4885DHODH 43/4885

“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.