SCHEMBL23903129

SCHEMBL23903129

O=c1c2ccccc2[nH]c2nc3ccc(Br)cc3n12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
AURKA O14965 1/20 0.47
CDC25B P30305 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPM1 P06748 1/20 0.41
ALK Q9UM73 1/20 0.41
NTRK1 P04629 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL11830081 0.85 AURKA (0.52) CYP1A1CYP1A2CYP1B1AURKACDC25B
SCHEMBL11827448 0.84 KDM4E (0.55) CDC25BKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18463241 0.83 AURKA (0.48) AURKACDC25BKDM4EALDH1A1HPGD
SCHEMBL11836690 0.83 AURKA (0.49) CYP1A1CYP1A2CYP1B1AURKACDC25B
SCHEMBL23903106 0.81 AHR (0.45) CYP1A1CYP1A2CYP1B1CDC25BKDM4E
SCHEMBL18463242 0.78 NPM1 (0.48) AURKAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23903174 0.77 APAF1 (0.44) AURKACDC25BALDH1A1SMN1; SMN2MAPK8
SCHEMBL824364 0.76 CDC25B (0.54) CYP1A1CYP1A2CYP1B1AURKACDC25B
SCHEMBL11829966 0.75 CYP1A2 (0.42) CYP1A1CYP1A2CYP1B1AURKAKDM4E
SCHEMBL18425290 0.74 KDM4E (0.48) AURKAKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151026-A1 MULTI-LAYER BODY FOR DIFFUSE TRANSILLUMINATION MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230151026-A1 MULTI-LAYER BODY FOR DIFFUSE TRANSILLUMINATION MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
WO-2021198213-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-07 WO 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-20230151026-A1 MULTI-LAYER BODY FOR DIFFUSE TRANSILLUMINATION DDT, EPCAM, SLC18A3 CYP1A1 1222/4885CYP1A2 757/4885CYP1B1 696/4885

“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.