SCHEMBL9109467

SCHEMBL9109467

C=Cc1ccc(-c2ncn[nH]2)nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ENPP2 Q13822 1/20 0.33
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9111846 0.87 IDO1 (0.33) IDO1EGLN1ALDH1A1ENPP2PIK3CA
SCHEMBL29574715 0.77 ALDH1A1 (0.50) ALDH1A1POLBTDP1
SCHEMBL17366415 0.77 ALDH1A1 (0.50) ALDH1A1POLBTDP1
SCHEMBL15681354 0.73 IDO1 (0.38) IDO1EGLN1ENPP2KDM4E
SCHEMBL12909405 0.72 NPC1 (0.32) ALDH1A1TDP1
SCHEMBL9908938 0.72 HPGDS (0.33) ALDH1A1TDP1
SCHEMBL9111044 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9110106 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9908939 0.69 NPSR1 (0.31)
SCHEMBL9110922 0.67 HIF1A (0.31) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150601-B2 Blue-light-emitting iridium complex, iridium complex monomer, phosphorus polymer, and organic electroluminescence device using same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-10-06 US disclosed
US-9150601-B2 Blue-light-emitting iridium complex, iridium complex monomer, phosphorus polymer, and organic electroluminescence device using same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-10-06 US disclosed
US-9150601-B2 Blue-light-emitting iridium complex, iridium complex monomer, phosphorus polymer, and organic electroluminescence device using same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-10-06 US disclosed
US-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-06-07 US disclosed
US-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-06-07 US disclosed
US-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-06-07 US disclosed
WO-2011019179-A2 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME 광주과학기술원 (KR) 2011-02-17 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 (1 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-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME IPMK, INTS9, ITK IDO1 1139/4885EGLN1 4354/4885ALDH1A1 1529/4885

“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.