Pyrrole

Pyrrole

SCHEMBL5652472

NC(=O)O.Nc1nc(N)c2ccccc2n1.c1cc[nH]c1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.66
NUDT1 P36639 3/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
DHFR P00374 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 2/20 0.44
HRH4 Q9H3N8 1/20 0.42
ABCB1 P08183 1/20 0.42
APP P05067 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL269636 0.81 DCPS (1.00) DCPSNUDT1HSD17B10ALDH1A1CYP1A2
SCHEMBL29375878 0.81 DCPS (1.00) DCPSNUDT1HSD17B10ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6601650 0.79 DCPS (0.95) DCPSNUDT1HSD17B10ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL27786605 0.79 DCPS (0.95) DCPSNUDT1HSD17B10ALDH1A1CYP1A2
SCHEMBL30468763 0.79 DCPS (0.95) DCPSNUDT1HSD17B10ALDH1A1CYP1A2
Hydrazine SCHEMBL29011033 0.77 DCPS (0.91) DCPSNUDT1HSD17B10ALDH1A1CYP1A2
SCHEMBL561316 0.71 ADORA3 (0.64) DCPSNUDT1HSD17B10ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL14842653 0.70 DCPS (0.53) DCPSHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL3088381 0.69 ADORA3 (0.66) DCPSNUDT1HSD17B10ALDH1A1CYP1A2
Hydrazine SCHEMBL29011024 0.69 DCPS (0.72) DCPSNUDT1HSD17B10ALDH1A1CYP1A2

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-7253177-B2 Synthesis and antimalarial activity of pyrrolo[3,2-f]quinazoline-1,3-diamine derivatives UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2007-08-07 US disclosed
WO-2006046949-A1 SYNTHESIS AND ANTIMALARIAL ACTIVITY OF PYRROLO[3,2-f]QUINAZOLINE-1,3- DIAMINE DERIVATIVES WALTER REED ARMY INSTITUTE OF RESEARCH (WRAIR) (US) 2006-05-04 WO disclosed
US-20060094736-A1 Synthesis and antimalarial activity of pyrrolo[3,2-f]quinazoline-1,3-diamine derivatives ARMY, UNITED STATES 2006-05-04 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-20060094736-A1 Synthesis and antimalarial activity of pyrrolo[3,2-f]quinazoline-1,3-diamine derivatives CPS1, PADI1, ALDH18A1 DCPS 1502/4885NUDT1 380/4885HSD17B10 1538/4885

“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.