SCHEMBL24401644

SCHEMBL24401644

Cc1ccc(NC(C)C)c(Nc2cc(Nc3nc(C)ccc3NC(C)C)cc(C(F)(F)F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 1/20 0.39
▸ TRPA1 O75762 2/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ IDH2 P48735 2/20 0.34
▸ KRAS P01116 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAK O14976 1/20 0.34

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
SCHEMBL29531859 1.00 KCNH3 (0.39) KCNH3TRPA1RAPGEF4EGFRPDGFRB
SCHEMBL29531777 0.78 TUBB4A (0.50) KCNH3TRPA1TAS2R14GRM4IDH2
SCHEMBL24401492 0.78 TUBB4A (0.50) KCNH3TRPA1TAS2R14GRM4IDH2
SCHEMBL24401645 0.77 RAPGEF4 (0.41) RAPGEF4EGFRPDGFRBKDRTP53
SCHEMBL29531552 0.77 RAPGEF4 (0.41) RAPGEF4EGFRPDGFRBKDRTP53
SCHEMBL14295964 0.77 KCNH3 (0.51) KCNH3THRBLMNABRD4
SCHEMBL24401583 0.74 NR4A2 (0.36) KCNH3MAPTHTTLMNABRD4
SCHEMBL29531855 0.74 NR4A2 (0.36) KCNH3MAPTHTTLMNABRD4
SCHEMBL29531896 0.72 FGFR4 (0.48) BRD4
SCHEMBL13483717 0.68 KIF11 (0.43) KCNH3RAPGEF4MAPTTAS2R14LMNA

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 KCNH3 1596/4885TRPA1 1511/4885RAPGEF4 2194/4885

“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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