SCHEMBL2216148

SCHEMBL2216148

NCCCC(=O)Nc1ccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
TLR7 Q9NYK1 2/20 0.34
HDAC1 Q13547 2/20 0.34
EGFR P00533 1/20 0.34
LTA4H P09960 1/20 0.34
HTR6 P50406 2/20 0.34
KISS1R Q969F8 1/20 0.34
NAMPT P43490 1/20 0.33
IKBKB O14920 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2214767 0.94 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9ANPSR1MAPT
SCHEMBL2214178 0.85 KDM4E (0.39) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL2215322 0.84 KDM4E (0.37) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL2216183 0.84 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9ANPSR1MAPT
SCHEMBL2884113 0.84 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL2215134 0.83 LOXL2 (0.38) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL2253400 0.83 MEN1 (0.35) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL2211719 0.83 LOXL2 (0.35) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL2214885 0.83 MEN1 (0.41) SMN1; SMN2NPSR1MAPTALDH1A1KDM4E
SCHEMBL2214233 0.83 DNMT1 (0.42) SMN1; SMN2NPC1RAB9AMAPTHPGD

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 SMN1; SMN2 1421/4885NPC1 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.