SCHEMBL6789559

SCHEMBL6789559

CC(N)n1ccc2cc(N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
BRPF1 P55201 2/20 0.43
NTSR1 P30989 1/20 0.40
HTR2C P28335 10/20 0.39
HTR2A P28223 9/20 0.39
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CSNK1A1 P48729 1/20 0.36
GSK3A P49840 1/20 0.36
LIMK1 P53667 1/20 0.36
IKBKE Q14164 1/20 0.36
MAPK14 Q16539 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL3481264 0.87 PRKCI (0.58) PRKCIBRPF1NTSR1HTR2CHTR2A
SCHEMBL6609182 0.81 PRKCI (0.51) PRKCIBRPF1NTSR1HTR2CHTR2A
SCHEMBL12967997 0.79 PRKCI (0.53) PRKCIBRPF1NTSR1HTR2CHTR2A
SCHEMBL27593315 0.75 PRKCI (0.45) PRKCIBRPF1NTSR1HTR2CHTR2A
SCHEMBL2976520 0.75 SLC6A4 (0.46) HTR2ASLC6A2SLC6A4
SCHEMBL30006940 0.72 PRKCI (1.00) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL721707 0.72 PRKCI (1.00) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL27658305 0.72 NTSR1 (0.42) PRKCIBRPF1NTSR1HTR2CCHEK1
SCHEMBL15712463 0.72 PRKCI (0.44) PRKCIBRPF1HTR2CHTR2AMAPK14
SCHEMBL2073701 0.71 PRKCI (0.53) PRKCIBRPF1NTSR1HTR2CHTR2A

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-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 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-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC PRKCI 1977/4885BRPF1 2819/4885NTSR1 772/4885

“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.