SCHEMBL21615073

SCHEMBL21615073

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3cccc4c5ccccc5c5ccccc5c34)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
PDK2 Q15119 1/20 0.36
MAPK1 P28482 1/20 0.35
GNG2 P59768 1/20 0.35
GNB1 P62873 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL21665494 0.88 PDK2 (0.42) CYP1A2PDK2MAPK1GNG2GNB1
SCHEMBL24794243 0.84 HSD17B10 (0.46) CYP1A2PDK2MAPK1KDM4EMAPT
SCHEMBL20182064 0.84 CYP1A2 (0.34) CYP1A2PDK2KDM4EMEN1MAPT
SCHEMBL21665664 0.83 MEN1 (0.35) CYP1A2PDK2KDM4EMEN1MAPT
SCHEMBL20181982 0.83 CYP1A2 (0.33) CYP1A2PDK2KDM4EMEN1MAPT
SCHEMBL21665617 0.81 MEN1 (0.49) CYP1A2PDK2KDM4EMEN1MAPT
SCHEMBL19221261 0.81 MAPK14 (0.35) CYP1A2PDK2MAPK1GNG2GNB1
SCHEMBL21665487 0.80 CYP1A2 (0.40) CYP1A2PDK2KDM4EMEN1MAPT
SCHEMBL15832135 0.79 TSHR (0.41) PDK2MAPK1KDM4EMEN1MAPT
SCHEMBL20182039 0.79 PDK2 (0.40) PDK2KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127251-A1 PROCESS FOR THE PRODUCTION OF ARYLAMINES MERCK PATENT GMBH (DE) 2022-04-28 US disclosed
WO-2020007770-A1 PROCESS FOR THE PRODUCTION OF ARYLAMINES MERCK PATENT GMBH (DE) 2020-01-09 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-20220127251-A1 PROCESS FOR THE PRODUCTION OF ARYLAMINES MAOB, TYR, INMT CYP1A2 528/4885PDK2 805/4885MAPK1 2535/4885

“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.