SCHEMBL4764601

SCHEMBL4764601

Cc1[nH]c2c(=O)n(C3CCNCC3)ccc2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
P2RX7 Q99572 2/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
KDM4C Q9H3R0 1/20 0.31
HSP90AB1 P08238 2/20 0.31
TOP2A P11388 2/20 0.31
NSD3 Q9BZ95 1/20 0.31
HTR6 P50406 1/20 0.31
SLC2A1 P11166 1/20 0.31
ABCB1 P08183 1/20 0.31

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
SCHEMBL4873377 0.82 JAK2 (0.34) HSP90AB1TOP2AHTR2AHTR2C
SCHEMBL4873369 0.82 JAK2 (0.34) HSP90AB1TOP2AHTR2AHTR2C
SCHEMBL4764579 0.82 DRD2 (0.34) SLC2A1L3MBTL1HTR2AMEN1KMT2A
SCHEMBL4766195 0.79 DRD2 (0.52)
SCHEMBL4869753 0.70 HRH3 (0.33) TP53KDM4EALDH1A1HSD17B10MEN1
SCHEMBL4879470 0.69 OGA (0.42) NPC1ALDH1A1TSHRRAB9AL3MBTL1
SCHEMBL4874945 0.69 ITGAL (0.38) TP53KDM4ENPC1ALDH1A1RAB9A
SCHEMBL30169461 0.66 HTR6 (0.43) P2RX7PRKCGPRKCBPRKCAPRKCH
SCHEMBL28634778 0.64 SLC28A1 (0.43) KDM4C
SCHEMBL8890709 0.64 ALDH1A1 (0.41) P2RX7PRKCGPRKCBPRKCAPRKCH

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 disclosed
EP-1991545-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES AstraZeneca AB (SE) 2008-11-19 EP disclosed
WO-2007071965-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES ASTRAZENECA AB (SE) 2007-06-28 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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP TP53 3919/4885P2RX7 1006/4885PRKCG 2519/4885

“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.