Sugi Predict

Sugi Predict / Compounds / SCHEMBL730440

SCHEMBL730440

SCHEMBL730440

c1ccc2c(-c3nc4ccccc4c4ccccc34)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GPR3 P46089 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ADORA2A P29274 3/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42

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
SCHEMBL4492054 0.88 ADORA2A (0.47) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6341548 0.85 ALDH1A1 (0.57) KMT2AMEN1GPR3ALDH1A1MAPT
SCHEMBL17914709 0.83 CYP1A2 (0.44) KMT2AMEN1GPR3ALDH1A1MAPT
SCHEMBL18200641 0.82 CYP1A2 (0.42) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16542822 0.79 ADORA2A (0.50) KMT2AMEN1GPR3ALDH1A1HPGD
SCHEMBL15860268 0.79 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15003485 0.79 ADORA2A (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29572574 0.79 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29985983 0.79 ADORA2A (0.50) KMT2AMEN1GPR3ALDH1A1HPGD
SCHEMBL12200697 0.78 L3MBTL1 (0.62) KMT2AMEN1GPR3ALDH1A1MAPT

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
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-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
US-20160326198-A1 RAW MATERIAL AND PRODUCTION METHOD FOR CYCLOMETALLIZED IRIDIUM COMPLEX NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2016-11-10 — — US disclosed
US-8993754-B2 Iridium complex and light emitting material formed from same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-03-31 — — US disclosed
US-8993754-B2 Iridium complex and light emitting material formed from same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-03-31 — — US 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
EP-2471889-A1 METAL COMPLEX COMPOSITION AND COMPLEX POLYMER Sumitomo Chemical Company, Limited (JP) 2012-07-04 — — EP 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
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-20180362565-A1 METHOD FOR PRODUCING CYCLOMETALATED IRIDIUM COMPLEX PRKCA, PRKACG, PRKACB KMT2A 3480/4885MEN1 1567/4885GPR3 55/4885
US-20100317858-A1 METAL COORDINATION COMPOUND AND LIGHT-EMITTING MATERIAL CONTAINING THE SAME CRY1, SOD1, L1CAM KMT2A 2827/4885MEN1 678/4885GPR3 4142/4885
US-20160326198-A1 RAW MATERIAL AND PRODUCTION METHOD FOR CYCLOMETALLIZED IRIDIUM COMPLEX DTYMK, CLK3, IPMK KMT2A 3969/4885MEN1 2101/4885GPR3 3177/4885
US-20120208999-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME LUC7L2, CRY1, INTS9 KMT2A 1918/4885MEN1 166/4885GPR3 4627/4885
US-10053479-B2 Raw material and production method for cyclometalated iridium complex DTYMK, IPO5, IPMK KMT2A 3882/4885MEN1 2076/4885GPR3 3155/4885

“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.