SCHEMBL24964880

SCHEMBL24964880

CN1Cc2ccccccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.68
MAOB P27338 2/20 0.68
SLC6A3 Q01959 4/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 2/20 0.50
DRD1 P21728 4/20 0.48
DRD5 P21918 3/20 0.48
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRM2 P08172 2/20 0.43

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
SCHEMBL130712 0.97 MAOA (0.71) MAOAMAOBSLC6A3SLC6A2SLC6A4
Bromide SCHEMBL2646357 0.94 MAOA (0.68) MAOAMAOBSLC6A3SLC6A2SLC6A4
SCHEMBL24227957 0.89 DRD1 (0.62) MAOAMAOBSLC6A3SLC6A2SLC6A4
SCHEMBL1649346 0.83 MAOA (0.56) MAOAMAOBSLC6A3SLC6A2SLC6A4
SCHEMBL98108 0.81 MAOA (1.00) MAOAMAOBSLC6A3SLC6A2SLC6A4
SCHEMBL29390912 0.81 MAOA (1.00) MAOAMAOBSLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL23501375 0.79 MAOA (1.00) MAOAMAOBSLC6A3SLC6A2SLC6A4
SCHEMBL14573056 0.79 MAOA (0.56) MAOAMAOBSLC6A3DRD1DRD5
SCHEMBL14306400 0.78 HSD17B3 (0.49) MAOAMAOBSLC6A3SLC6A2SLC6A4
SCHEMBL4320673 0.78 MAOA (0.91) MAOAMAOBSLC6A3SLC6A2SLC6A4

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-20230026616-A1 PYRIMIDOIMIDAZOLE COMPOUNDS USED AS DNA-PK INHIBITORS ZAI LAB (SHANGHAI) CO., LTD (CN) 2023-01-26 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-20230026616-A1 PYRIMIDOIMIDAZOLE COMPOUNDS USED AS DNA-PK INHIBITORS TYMP, DTYMK, DCK MAOA 4007/4885MAOB 3191/4885SLC6A3 1624/4885

“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.