SCHEMBL24401581

SCHEMBL24401581

Cc1ccc(N)c(Nc2cc(Nc3nc(C)ccc3N)c(C)cc2C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ RUNX1 Q01196 1/20 0.35
▸ CBFB Q13951 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL29531680 1.00 KDM4E (0.35) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL13506337 0.81 HTT (0.47) KDM4EHSD17B10LMNAMEN1TP53
SCHEMBL29531855 0.75 NR4A2 (0.36) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL24401583 0.75 NR4A2 (0.36) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL24401657 0.74 CA12 (0.45) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL29531937 0.74 CA12 (0.45) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL13506395 0.73 CYP1A2 (0.49) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL12727110 0.73 RAB9A (0.47) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL4861825 0.72 NOS3 (0.38) KDM4EHSD17B10ALDH1A1MAPTLMNA
SCHEMBL29532283 0.72 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220140258-A1 IRIDIUM COMPLEX, NITROGEN-CONTAINING TRIDENTATE CARBENE CHELATE, AND ORGANIC LIGHT-EMITTING DIODE NATIONAL TSING HUA UNIVERSITY (TW) 2022-05-05 — — 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 (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-20220140258-A1 IRIDIUM COMPLEX, NITROGEN-CONTAINING TRIDENTATE CARBENE CHELATE, AND ORGANIC LIGHT-EMITTING DIODE NR2E3, CHRM1, CBR3 KDM4E 3708/4885HSD17B10 3775/4885ALDH1A1 3552/4885

“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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