SCHEMBL12366952

SCHEMBL12366952

NC(N)=NC(=O)c1ccc2c(c1)C(c1ccccc1)CCC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HTR2B P41595 13/20 0.48
▸ HTR7 P34969 12/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ ADRA1D P25100 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ HAO1 Q9UJM8 1/20 0.47
▸ MAPK1 P28482 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SLC9A1 P19634 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL12365276 0.83 IGF1R (0.60) IGF1RALOX15DRD2HAO1MAPK1
SCHEMBL2258847 0.78 IGF1R (0.53) IGF1RALOX15HAO1MAPK1MAPK14
SCHEMBL14360065 0.72 HAO1 (0.64) IGF1RALOX15ADRA1DADRA1AADRA1B
SCHEMBL12389324 0.72 SLC9A1 (0.42) HTR2BHTR7DRD2ADRA1DHTR2A
Hydrochloric Acid SCHEMBL2259929 0.71 HTR2B (0.41) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL29842306 0.69 GID4 (0.62) IGF1RALOX15ADRA1DADRA1AADRA1B
SCHEMBL395087 0.69 GID4 (0.62) IGF1RALOX15ADRA1DADRA1AADRA1B
SCHEMBL6951950 0.68 HAO1 (0.41) IGF1RALOX15DRD2HTR2AHAO1
SCHEMBL6951951 0.68 HAO1 (0.41) IGF1RALOX15DRD2HTR2AHAO1
SCHEMBL12366955 0.68 HTR2B (0.50) 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 3 patents. 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
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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 IGF1R 2319/4885ALOX15 894/4885HTR2B 7/4885

“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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