SCHEMBL2213852

SCHEMBL2213852

CSc1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)cc2ccnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 1/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
F2RL3 Q96RI0 2/20 0.40
SRC P12931 2/20 0.39
ABL1 P00519 1/20 0.39
MCL1 Q07820 1/20 0.39
SRD5A2 P31213 1/20 0.39
XDH P47989 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
WDR5 P61964 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL2215071 0.82 ALOX5 (0.42) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL2213882 0.75 SMN1; SMN2 (0.45) NPC1RAB9AMEN1KMT2AENPP3
SCHEMBL2212151 0.74 GSK3B (0.36) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2216217 0.74 ALOX5 (0.45) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL2215466 0.70 MAPT (0.41) NPC1RAB9ACYP3A4XDHKDM4E
SCHEMBL8615408 0.66 ALOX5 (0.55) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL24387329 0.65 MAPK13 (0.31)
SCHEMBL4506543 0.65 CYP11B2 (0.68) ALOX5CYP3A4
SCHEMBL51460 0.65 ALOX5 (1.00) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL8984340 0.65 ALOX5 (0.92) ALOX5NPC1RAB9AMEN1KMT2A

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 3694/4885NPC1 3449/4885RAB9A 3213/4885

“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.