SCHEMBL19794397

SCHEMBL19794397

c1ccc(-c2cc(-c3ccccc3-c3ccc(-n4cccn4)cc3)cc(-c3ccccc3-c3ccc(-n4cccn4)cc3)c2)c(-c2ccc(-n3cccn3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PDK2 Q15119 1/20 0.47
CHRM1 P11229 2/20 0.46
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MGLL Q99685 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC4 P56524 1/20 0.40
CHRNA7 P36544 1/20 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
SCHEMBL23956178 0.92 NOTUM (0.60) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL17125509 0.85 NOTUM (0.62) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL22915042 0.84 MAPK1 (0.43) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL23956287 0.84 KDM5A (0.42) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL21289803 0.83 NOTUM (0.51) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL22567197 0.82 LPL (0.40) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL22030032 0.81 NOTUM (0.50) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL514359 0.81 NOTUM (0.62) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL23956273 0.81 GRM5 (0.39) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL23956203 0.81 CCR1 (0.43) NOTUMKDM4EALDH1A1EDNRBEDNRA

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-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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 (2 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC NOTUM 3607/4885MAPK1 4689/4885KDM4E 3894/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 NOTUM 3709/4885MAPK1 4164/4885KDM4E 3864/4885

“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.