SCHEMBL10143828

SCHEMBL10143828

COc1cc(C(=O)NC2CCN(CC[C@H](N)C(=O)OC3CCCC3)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 8/20 0.49
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR1D P28221 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR2B P41595 1/20 0.46
HTR3A P46098 1/20 0.46
MCHR1 Q99705 4/20 0.45
POLB P06746 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL13261137 0.96 MCHR1 (0.47) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL10144544 0.96 MCHR1 (0.47) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14216102 0.89 HTR4 (0.44) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL10143833 0.85 CACNA1B (0.44) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13667333 0.83 HTR4 (0.49) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL10143824 0.83 PDE4A (0.51) HTR4
SCHEMBL10143788 0.83 PDE4A (0.51) HTR4
SCHEMBL13543471 0.83 HTR4 (0.45) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14194645 0.82 HTR4 (0.48) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14194928 0.82 HTR4 (0.48) HTR4CHRM4CHRM5ADRA2CCHRM3

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
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 US disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 HTR4 3018/4885CHRM4 3037/4885CHRM5 2286/4885

“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.