SCHEMBL2216158

SCHEMBL2216158

Nc1ccccc1C(=O)Nc1ccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PTGS1 P23219 2/20 0.35
OPRL1 P41146 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AURKB Q96GD4 2/20 0.34
AURKA O14965 1/20 0.34
MAPT P10636 4/20 0.33
CDK2 P24941 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 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
SCHEMBL2214233 0.89 DNMT1 (0.42) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL2216183 0.88 ALDH1A1 (0.42) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL2215080 0.87 LMNA (0.50) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL2214178 0.85 KDM4E (0.39) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL2215195 0.85 MEN1 (0.45) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL2215221 0.85 MAPT (0.42) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL2884117 0.85 CDK2 (0.36) NPC1RAB9AALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL2215243 0.85 HSD17B10 (0.38) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL2211773 0.85 PLG (0.38) NPC1RAB9AAURKBAURKAMAPT
SCHEMBL2884113 0.85 SMN1; SMN2 (0.37) NPC1RAB9AALDH1A1HSD17B10KDM4E

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 FADS1 3404/4885NPC1 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.