SCHEMBL12390394

SCHEMBL12390394

NC(N)=NC(=O)c1ccc2c(c1)C(c1ccccc1OC(F)(F)F)=CCC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 12/20 0.46
▸ HTR7 P34969 11/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ CYP2C9 P11712 2/20 0.37
▸ SLC9A1 P19634 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SCN9A Q15858 3/20 0.36
▸ HTR5A P47898 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
SCHEMBL2260956 0.86 HTR2B (0.49) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12366807 0.86 HTR2B (0.46) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12390264 0.85 CSNK2A2 (0.44) —
SCHEMBL12366700 0.84 SLC9A1 (0.47) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12390373 0.84 HTR2B (0.49) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12390376 0.84 SLC9A1 (0.48) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12366660 0.83 HTR2B (0.52) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12389011 0.82 PDK2 (0.46) —
SCHEMBL12366719 0.82 HTR2B (0.53) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12389323 0.81 HTR5A (0.43) HTR2BHTR7DRD2ADRA1DHTR2A

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E HTR2B 7/4885HTR7 13/4885DRD2 17/4885

“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.

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