SCHEMBL19801366

SCHEMBL19801366

N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(C#N)c9)n8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(C#N)c9)n8)cn7)cc6)c5)cc4)nc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 5/20 0.46
CYP1A2 P05177 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2C19 P33261 4/20 0.46
LMNA P02545 4/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2D6 P10635 3/20 0.46
TSHR P16473 2/20 0.46
CYP2C9 P11712 1/20 0.46
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA1 P14867 1/20 0.45
ALDH1A3 P47895 1/20 0.44
MAPK1 P28482 2/20 0.43
KDM1A O60341 1/20 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
SCHEMBL19794509 0.91 CLK4 (0.39) CLK4CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL19794470 0.87 CLK4 (0.47) CLK4CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL21202954 0.87 CLK4 (0.47) CLK4CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL19794490 0.86 MEN1 (0.49) MEN1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL19794497 0.85 HSD17B1 (0.43) MEN1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL27453697 0.84 ALDH1A3 (0.49) CLK4CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL27453360 0.83 CYP1A2 (0.52) CLK4CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL27453614 0.83 CYP1A2 (0.52) CLK4CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL27453367 0.83 CYP1A2 (0.52) CLK4CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL18573258 0.83 GABRG2 (0.46) MEN1ALDH1A1KMT2AGABRG2GABRB3

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
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP 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 CLK4 1837/4885CYP1A2 4170/4885MEN1 2821/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 CLK4 2671/4885CYP1A2 3140/4885MEN1 1212/4885

“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.