SCHEMBL4142083

SCHEMBL4142083

[O]c1ccc2ncc(Cl)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
KLKB1 P03952 1/20 0.36
MAP4K1 Q92918 1/20 0.36
KDR P35968 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALPL P05186 2/20 0.33
HTT P42858 1/20 0.33
NOS1 P29475 1/20 0.33
FGFR3 P22607 1/20 0.33
HPGD P15428 2/20 0.33
CYP2C9 P11712 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
GLA P06280 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
SCHEMBL16155308 0.76 ALDH1A1 (0.50) METPDE3BPDE3AKMT2AALDH1A1
SCHEMBL1359776 0.76 MAP4K4 (0.46) PDE3BPDE3AKMT2AALDH1A1
SCHEMBL28150877 0.76 MET (0.35) METPDE3BPDE3AADORA3KLKB1
SCHEMBL29975637 0.76 CNR2 (0.43) PDE3BPDE3AALPLKMT2ACYP1A2
SCHEMBL5537406 0.76 CYP1A2 (0.57) PDE3BPDE3AKDRSMN1; SMN2NPC1
SCHEMBL31468230 0.76 MALT1 (0.42) KDRNPC1HTTNOS1CYP2C9
SCHEMBL16963494 0.76 ALDH1A1 (0.42) METPDE3BPDE3ASMN1; SMN2RAB9A
SCHEMBL31468155 0.74 MET (0.41) METPDE3BPDE3AKDRSMN1; SMN2
SCHEMBL19780448 0.74 MGAM (0.41) PDE3AKLKB1MAP4K1KDRNPC1
SCHEMBL17442560 0.74 MGAM (0.53) PDE3ASMN1; SMN2NPC1RAB9AHPGD

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
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ MET 4121/4885PDE3B 2265/4885PDE3A 2062/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ MET 4121/4885PDE3B 2265/4885PDE3A 2062/4885

“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.