SCHEMBL3987258

SCHEMBL3987258

CCOC(=O)c1cnc(Cl)c2cc[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.54
JAK3 P52333 5/20 0.46
JAK1 P23458 4/20 0.46
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 3/20 0.44
CLEC4M Q9H2X3 1/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.42
POLB P06746 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
SCHEMBL16336960 0.85 PIM3 (0.44) NUDT1KDM4E
SCHEMBL14040931 0.84 NUDT1 (0.54) NUDT1JAK3JAK1ALDH1A1KMT2A
SCHEMBL29477133 0.78 NUDT1 (0.65) NUDT1JAK3JAK1KMT2AMEN1
SCHEMBL566667 0.78 NUDT1 (0.65) NUDT1JAK3JAK1KMT2AMEN1
SCHEMBL16382700 0.78 AURKA (0.43) JAK1
Hydrochloric Acid SCHEMBL29234028 0.77 NUDT1 (0.64) NUDT1JAK3JAK1KMT2AMEN1
Hydrochloric Acid SCHEMBL29477135 0.77 NUDT1 (0.64) NUDT1JAK3JAK1KMT2AMEN1
SCHEMBL11557447 0.77 MAPT (0.60) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL16382706 0.77 BTK (0.46) NUDT1JAK3JAK1
SCHEMBL3993488 0.77 MAPT (0.55) ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US disclosed
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US disclosed
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US disclosed
EP-1753764-B1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2008-10-29 EP disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US disclosed
CN-101001859-A Pyrrolopyridine derivatives GLAXO GROUP LTD (GB) 2007-07-18 CN disclosed
EP-1753764-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-02-21 EP disclosed
WO-2005121140-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-22 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-20070219229-A1 Pyrrolopyridine Derivatives CNR2, CNR1, TRPV1 NUDT1 2737/4885JAK3 1403/4885JAK1 1767/4885

“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.