SCHEMBL5802083

SCHEMBL5802083

CC1(C)OB(c2ccc(Nc3nc4ccccc4s3)c(F)c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.49
RAB9A P51151 14/20 0.49
SMN1; SMN2 Q16637 13/20 0.49
LMNA P02545 4/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 2/20 0.42

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
SCHEMBL5803954 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL5804543 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL5801266 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL31171044 0.77 NPC1 (0.75) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL4826876 0.76 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL1747973 0.74 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL732658 0.73 SNCA (0.58) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14882238 0.73 MAPT (0.60) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL18230156 0.72 SNCA (0.42) SNCAIDO1ADORA1
SCHEMBL1621585 0.72 SNCA (0.50) NPC1RAB9ASMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 NPC1 991/4885RAB9A 975/4885SMN1; SMN2 1992/4885

“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.