SCHEMBL21891114

SCHEMBL21891114

CC1(I)c2ccccc2Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
HTR5A P47898 2/20 0.45
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
POLB P06746 2/20 0.37
NOX1 Q9Y5S8 2/20 0.37
ALOX5 P09917 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL31911 0.79 PDK2 (0.67) PDK2PDK4HTR5AGAAMAPT
SCHEMBL29371027 0.79 PDK2 (0.67) PDK2PDK4HTR5AGAAMAPT
SCHEMBL28706253 0.77 PDK2 (0.64) PDK2PDK4HTR5AGAAMAPT
SCHEMBL14612689 0.75 PDK2 (0.50) PDK2PDK4HTR5AGAAMAPT
SCHEMBL19968002 0.74 HTR2A (0.40) PDK2PDK4HTR5AKMT2ALMNA
SCHEMBL18415206 0.74 PDK2 (0.41) PDK2PDK4MAPTKMT2AMEN1
SCHEMBL22481656 0.73 PDK2 (0.54) PDK2PDK4HTR5AGAAMAPT
SCHEMBL9332219 0.73 LMNA (0.54) PDK2PDK4HTR5AGAAMAPT
SCHEMBL29815212 0.73 LMNA (0.54) PDK2PDK4HTR5AGAAMAPT
SCHEMBL15497968 0.71 PDK2 (0.47) PDK2PDK4HTR5AGAAMAPT

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-20200091436-A1 9,10-DIHYDRO-ACRIDINE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2020-03-19 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 (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-20200091436-A1 9,10-DIHYDRO-ACRIDINE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF DHODH, DHRS9, QDPR PDK2 1680/4885PDK4 1819/4885HTR5A 330/4885

“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.