SCHEMBL6759307

SCHEMBL6759307

Nc1cccnc1NCc1ccc(-c2ccccc2C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.42
BACE1 P56817 1/20 0.41
XDH P47989 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
USP1 O94782 2/20 0.39
WDR48 Q8TAF3 2/20 0.39
HDAC1 Q13547 1/20 0.39
KDR P35968 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6759306 0.84 BDKRB1 (0.48) BDKRB1KDRMAPT
SCHEMBL9854331 0.78 CYP1A2 (0.52) BDKRB1BACE1HDAC1
SCHEMBL6754038 0.77 BDKRB1 (0.70) BDKRB1MAPT
SCHEMBL6285864 0.77 BACE1 (0.65) BACE1MAPT
SCHEMBL31631318 0.77 BACE1 (0.65) BACE1MAPT
SCHEMBL29957028 0.76 EGFR (0.50) BACE1KDR
SCHEMBL11016635 0.73 APP (0.54) BACE1KDRPOLBMAPT
SCHEMBL5212805 0.73 APP (0.54) BACE1POLBMAPT
SCHEMBL7835214 0.73 KDM4E (0.55) BACE1KDRPOLBMAPT
SCHEMBL10370951 0.73 CA12 (0.42) BACE1HDAC1MAPT

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-20040034064-A1 2-(biarylalkyl)amino-3-(alkanoylamino)pyridine derivatives KUDUK SCOTT D (US) 2004-02-19 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-20040034064-A1 2-(biarylalkyl)amino-3-(alkanoylamino)pyridine derivatives BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885BACE1 836/4885XDH 3545/4885

“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.