SCHEMBL4868542

SCHEMBL4868542

Cc1[nH]c2c(c1Cl)CCCN(C1CCN(c3cc(C(=O)OC(C)C)ccn3)CC1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
PROKR1 Q8TCW9 7/20 0.36
PIK3CA P42336 2/20 0.36
JMJD6 Q6NYC1 1/20 0.35
MAPK14 Q16539 3/20 0.33
AURKA O14965 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL4876224 0.89 PIK3CA (0.42) HRH3PROKR1PIK3CA
SCHEMBL4792596 0.79 ABCC2 (0.33) PIK3CA
SCHEMBL4878828 0.73 PARP1 (0.44)
SCHEMBL4791760 0.71 BAZ2A (0.38) HRH3
SCHEMBL4874984 0.71 ABCC2 (0.46)
SCHEMBL4870095 0.70 PIK3CD (0.43) PIK3CA
Hydrochloric Acid SCHEMBL5188421 0.69 HRH3 (0.48) HRH3PROKR1PIK3CAJMJD6
Hydrochloric Acid SCHEMBL4790235 0.68 TP53 (0.39)
SCHEMBL15121936 0.67 ABCC2 (0.37) HRH3
SCHEMBL15122124 0.67 ABCC2 (0.39)

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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US claimed
EP-1991545-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES AstraZeneca AB (SE) 2008-11-19 EP claimed
WO-2007071965-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES ASTRAZENECA AB (SE) 2007-06-28 WO claimed

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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP HRH3 3006/4885PROKR1 3524/4885PIK3CA 494/4885

“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.