SCHEMBL17265642

SCHEMBL17265642

c1ccc(-c2cccnc2-n2cnc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ MKNK1 Q9BUB5 2/20 0.45
▸ MKNK2 Q9HBH9 2/20 0.45
▸ FGFR1 P11362 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PPP1CA P62136 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
SCHEMBL27995809 0.79 HTT (0.58) ALDH1A1KDM4EHPGDHTTPOLB
SCHEMBL25764658 0.78 ALDH1A1 (0.58) ALDH1A1HTTPOLBMAPK1MKNK1
SCHEMBL10094729 0.78 MAPK1 (0.59) ALDH1A1KDM4EHTTPOLBNPSR1
SCHEMBL24179389 0.76 HTT (0.50) KDM4EHPGDHTTPOLBMAPT
SCHEMBL9851230 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EHTTPOLBMAPT
SCHEMBL23266596 0.76 HTT (0.44) ALDH1A1KDM4EHTTPOLBMAPT
SCHEMBL9509609 0.75 CDC7 (0.44) ALDH1A1HTTMAPTKMT2AMKNK1
SCHEMBL10094244 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHTTPOLB
SCHEMBL26085163 0.74 HTT (0.51) ALDH1A1KDM4EHPGDHTTPOLB
SCHEMBL17514097 0.73 HTT (0.54) ALDH1A1KDM4EHPGDHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10256418-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-04-09 — — US disclosed
US-20150333278-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD., (KR) 2015-11-19 — — US disclosed
US-20150333278-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD., (KR) 2015-11-19 — — 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 (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-10256418-B2 Organometallic compound and organic light-emitting device including the same L1CAM, AP1M1, NOM1 ALDH1A1 122/4885KDM4E 3683/4885HPGD 3604/4885
US-20150333278-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, NOM1 ALDH1A1 122/4885KDM4E 3683/4885HPGD 3604/4885

“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.

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