SCHEMBL5596844

SCHEMBL5596844

Brc1ccc2c3c(cncc13)CCN2CC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
HTR6 P50406 3/20 0.33
FPR2 P25090 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CDK9 P50750 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
PIM1 P11309 2/20 0.31
DRD2 P14416 1/20 0.31
EP300 Q09472 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL5596666 0.82 NOTUM (0.33) NOTUM
SCHEMBL5597009 0.80 HTR2C (0.41) HTR6HTR2AHTR2CHTR2B
SCHEMBL5596331 0.79 ROCK2 (0.38) NOTUMHTR6CDK9PIM1DRD2
SCHEMBL5597035 0.77 NOTUM (0.34) NOTUMHTR6FPR2CDK9PIM1
SCHEMBL5596951 0.76 HTR2C (0.50) HTR2AHTR2CHTR2B
SCHEMBL5596620 0.74 DRD2 (0.39) NOTUMHTR6CDK9JAK2JAK1
SCHEMBL5596996 0.74 HTR6 (0.36) NOTUMHTR6CDK9JAK2JAK1
SCHEMBL5596971 0.72 HTR2C (0.48) HTR2AHTR2CHTR2B
SCHEMBL5597030 0.70 PRKCZ (0.34) HTR6PIM1DRD2PARP1
SCHEMBL15785123 0.69 ALDH1A1 (0.54) NOTUMHTR2AHTR2CHTR2BDRD2

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 NOTUM 4510/4885HTR6 1910/4885FPR2 3865/4885

“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.