SCHEMBL1028052

SCHEMBL1028052

CC(=O)Nc1nc2c(s1)C[C@@H](C(=O)O)CC2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.58
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
ALDH1A1 P00352 8/20 0.47
MAPT P10636 5/20 0.47
TP53 P04637 4/20 0.47
HSD17B10 Q99714 1/20 0.47
GCK P35557 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.42
ALOX12 P18054 1/20 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
SCHEMBL1506579 1.00 PDK1 (0.58) PDK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1028051 1.00 PDK1 (0.58) PDK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1033938 0.88 SMN1; SMN2 (0.56) PDK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1031917 0.85 RAB9A (0.57) PDK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1031919 0.85 RAB9A (0.57) PDK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1506733 0.85 RAB9A (0.57) PDK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3537545 0.84 PDK1 (0.56) PDK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1032199 0.82 PDK1 (0.65) PDK1RAB9ANPC1SMN1; SMN2ALDH1A1
Bromide SCHEMBL3055052 0.81 PDK1 (0.64) PDK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3562143 0.81 NPC1 (0.52) RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730129-B1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA FRANCIS SRL (IT) 2011-01-19 EP claimed
US-20070191439-A1 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2007-08-16 US claimed
EP-1730129-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE Dipharma S.p.A. (IT) 2006-12-13 EP claimed
WO-2005092871-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2005-10-06 WO claimed
US-8203002-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2012-06-19 US disclosed
EP-2289885-A1 Intermediates for the preparation of pramipexole Dipharma Francis S.r.l. (IT) 2011-03-02 EP disclosed
EP-1730129-B1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA FRANCIS SRL (IT) 2011-01-19 EP disclosed
US-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2010-09-02 US disclosed
US-7741490-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2010-06-22 US disclosed
US-7662610-B2 Synthesis of intermediates for the preparation of pramipexol DIPHARMA FRANCIS S.R.L. (IT) 2010-02-16 US disclosed
US-20070191439-A1 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2007-08-16 US disclosed
US-20070166814-A1 SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOL DIPHARMA FRANCIS S.R.L. (IT) 2007-07-19 US disclosed
EP-1808492-A1 Synthesis of intermediates for the preparation of pramipexol Dipharma Francis S.r.l. (IT) 2007-07-18 EP disclosed
EP-1730129-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE Dipharma S.p.A. (IT) 2006-12-13 EP disclosed
WO-2005092871-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2005-10-06 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 (2 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-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE CYP11B2, CYP11B1, CYP4A11 PDK1 288/4885RAB9A 3119/4885NPC1 1798/4885
US-20070191439-A1 Intermediates for the preparation of pramipexole CYP11B2, CYP11B1, CYP4A11 PDK1 288/4885RAB9A 3119/4885NPC1 1798/4885

“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.