SCHEMBL22281114

SCHEMBL22281114

COc1ccc2c3cc(-c4ccccc4)ccc3n3ccnc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.42
KDR P35968 1/20 0.42
TNK2 Q07912 2/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MET P08581 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIK2 Q13002 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL22280934 0.92 MET (0.43) CASRKDRTNK2KDM4EHPGD
SCHEMBL22281116 0.90 TNK2 (0.39) TNK2
SCHEMBL22281115 0.87 TNK2 (0.37) TNK2KDM4EHPGDMAPTMEN1
SCHEMBL22281194 0.85 TNK2 (0.36) TNK2
SCHEMBL12076752 0.85 MAPT (0.50) TNK2KDM4EHPGDMAPTMEN1
SCHEMBL29808431 0.85 MAPT (0.50) TNK2KDM4EHPGDMAPTMEN1
SCHEMBL22280909 0.84 BCHE (0.39) TNK2KDM4EHPGDMAPTMEN1
SCHEMBL13309571 0.83 TACR1 (0.41) KDR
SCHEMBL21917598 0.83 KMT2A (0.43) TNK2KDM4EHPGDMAPTMEN1
SCHEMBL22281109 0.81 TNK2 (0.42) TNK2

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-20200239505-A1 BLUE PHOSPHORESCENT EMITTERS EMPLOYING FUNCTIONALIZED IMIDAZOPHENTHRIDINE AND ANALOGUES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2020-07-30 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-20200239505-A1 BLUE PHOSPHORESCENT EMITTERS EMPLOYING FUNCTIONALIZED IMIDAZOPHENTHRIDINE AND ANALOGUES EML4, TYR, TYMP CASR 3311/4885KDR 1297/4885TNK2 1916/4885

“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.