SCHEMBL2789425

SCHEMBL2789425

COc1nccc(C(N)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.46
SIRT6 Q8N6T7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGDS O60760 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
APP P05067 2/20 0.39
FFAR1 O14842 1/20 0.39
PLAU P00749 2/20 0.39
GRM2 Q14416 1/20 0.39
IKBKB O14920 1/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
MAPK14 Q16539 1/20 0.37
OPRM1 P35372 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL17819925 0.83 ALDH1A1 (0.42) KDM4ELMNATDP1FFAR1PLAU
SCHEMBL2015751 0.83 LMNA (0.53) KDM4ELMNATDP1FFAR1TSHR
SCHEMBL22518516 0.81 MAPK1 (0.44) KDM4ELMNATDP1ALOX5APFEN1
SCHEMBL22518531 0.81 P2RX7 (0.49) KDM4ELMNAFFAR1ADORA3
SCHEMBL31395012 0.79 HPGDS (0.42) KDM4EHPGDSLMNATDP1FFAR1
SCHEMBL25702955 0.77 GSK3B (0.42) KDM4EHPGDSLMNATDP1FFAR1
SCHEMBL25239187 0.76 CLK1 (0.41) KDM4ELMNATDP1FFAR1
SCHEMBL30307723 0.76 CLK1 (0.41) KDM4ELMNATDP1FFAR1
SCHEMBL2829062 0.75 ADORA3 (0.41) NNMTSIRT6KDM4ELMNATDP1
SCHEMBL2624147 0.74 KDM4E (0.54) NNMTSIRT6KDM4EHPGDSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026107422-A1 6-(PYRIDIN-4-YL)-1H-BENZO[D]IMIDAZOLE DERIVATIVES AS CAMK2 INHIBITORS FOR THE TREATMENT OF HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-05-21 WO disclosed
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
US-20090253671-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2009-10-08 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-20090253671-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY AZI2, AAAS, QDPR NNMT 4096/4885SIRT6 3805/4885KDM4E 1165/4885

“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.