SCHEMBL1284446

SCHEMBL1284446

O=[N+]([O-])c1ccc(C2CCN(CCF)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.52
KCNJ1 P48048 4/20 0.49
KCNH2 Q12809 3/20 0.49
SIGMAR1 Q99720 3/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TRPV6 Q9H1D0 1/20 0.46
DRD2 P14416 1/20 0.44
HTR2A P28223 2/20 0.43
ESRRG P62508 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
SCHEMBL1284674 0.85 SLC18A3 (0.60) SLC18A3KCNJ1KCNH2SIGMAR1HRH3
SCHEMBL27749334 0.83 SLC18A3 (0.48) SLC18A3KCNJ1KCNH2SIGMAR1HRH3
SCHEMBL2143870 0.82 SIGMAR1 (0.62) SLC18A3KCNJ1KCNH2SIGMAR1HRH3
SCHEMBL4763328 0.82 SLC18A3 (0.55) SLC18A3KCNJ1KCNH2SIGMAR1TRPV6
SCHEMBL21526604 0.82 SIGMAR1 (0.53) SLC18A3KCNJ1KCNH2SIGMAR1HRH3
SCHEMBL1475645 0.81 SLC18A3 (0.51) SLC18A3KCNJ1KCNH2SIGMAR1HRH3
SCHEMBL17630267 0.81 SLC18A3 (0.51) SLC18A3KCNJ1KCNH2SIGMAR1TRPV6
SCHEMBL1814300 0.81 KCNJ1 (0.49) SLC18A3KCNJ1KCNH2SIGMAR1HRH3
SCHEMBL426360 0.80 SLC18A3 (0.58) SLC18A3HRH3TRPV6ALDH1A1LMNA
SCHEMBL16514310 0.79 LMNA (0.60) KCNJ1KCNH2HRH3ALDH1A1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
CN-102341400-A Pyrrolopyrimidines useful as kinase inhibitors MEDICAL RES COUNCIL TECHNOLOGY 2012-02-01 CN disclosed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 SLC18A3 3688/4885KCNJ1 3002/4885KCNH2 2044/4885

“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.