SCHEMBL2216217

SCHEMBL2216217

S=c1[nH]c(-c2ccc3cc(OCc4ccccc4)ccc3c2)cc2ccnn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
CYP3A4 P08684 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
PRMT5 O14744 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CDC7 O00311 2/20 0.39
XDH P47989 1/20 0.39
PTGES O14684 1/20 0.39
LTC4S Q16873 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
SRD5A2 P31213 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2213852 0.74 ALOX5 (0.44) ALOX5CYP3A4NPC1RAB9AMEN1
SCHEMBL2215071 0.72 ALOX5 (0.42) ALOX5CYP3A4NPC1RAB9AMEN1
SCHEMBL4147002 0.67 KDM4E (0.61) ALOX5NPC1RAB9APRMT5MEN1
SCHEMBL4506543 0.66 CYP11B2 (0.68) ALOX5CYP3A4PRMT5
SCHEMBL8984340 0.66 ALOX5 (0.92) ALOX5PTGS1PTGS2CYP3A4NPC1
SCHEMBL51460 0.66 ALOX5 (1.00) ALOX5PTGS1PTGS2CYP3A4NPC1
SCHEMBL484162 0.65 CHEK2 (0.57) ALOX5NPC1RAB9APRMT5MEN1
SCHEMBL4890810 0.65 ALOX5 (0.57) ALOX5CYP3A4NPC1RAB9APRMT5
SCHEMBL4890578 0.65 KDM4E (0.64) ALOX5NPC1RAB9APRMT5MEN1
SCHEMBL31487829 0.65 MAPK14 (0.49) ALOX5PTGS1PTGS2CYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 US disclosed
EP-1797096-A2 NOVEL PYRAZOLOPYRIMIDINES Altana Pharma AG (DE) 2007-06-20 EP disclosed
WO-2006027346-A2 NOVEL PYRAZOLOPYRIMIDINES ALTANA PHARMA AG (DE) 2006-03-16 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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 ALOX5 3694/4885PTGS1 1596/4885PTGS2 1975/4885

“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.