SCHEMBL5596723

SCHEMBL5596723

c1cc2c3c(cncc3c1)CCN2C1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.45
HTR2B P41595 14/20 0.45
HTR2A P28223 7/20 0.44
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
DRD2 P14416 1/20 0.40
ROCK2 O75116 3/20 0.39
PRKACA P17612 2/20 0.39
ROCK1 Q13464 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
DCLK1 O15075 1/20 0.39
PDPK1 O15530 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
LCK P06239 1/20 0.39
CDK1 P06493 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL5418084 0.93 HTR2C (0.47) HTR2CHTR2BHTR2ANOS3NOS1
SCHEMBL5410387 0.85 HTR2C (0.47) HTR2CHTR2BHTR2ANOS3NOS1
SCHEMBL5596564 0.82 HTR2C (0.46) HTR2CHTR2BHTR2ANOS3NOS1
SCHEMBL5596832 0.81 HTR2C (0.40) HTR2CHTR2BHTR2ANOS3NOS1
SCHEMBL5596971 0.80 HTR2C (0.48) HTR2CHTR2BHTR2ANOS3NOS1
SCHEMBL5596572 0.80 HTR2B (0.38) HTR2CHTR2BHTR2ANOS3NOS1
SCHEMBL5420267 0.80 ROCK2 (0.35) HTR2CHTR2BHTR2ADRD2ROCK2
SCHEMBL5596798 0.80 HTR2C (0.46) HTR2CHTR2BHTR2ANOS3NOS1
SCHEMBL5596693 0.79 DRD2 (0.40) HTR2CHTR2BHTR2ANOS1NOS2
SCHEMBL5596967 0.79 HTR2C (0.43) HTR2CHTR2BHTR2ANOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A HTR2C 1430/4885HTR2B 1795/4885HTR2A 2293/4885

“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.