SCHEMBL4160236

SCHEMBL4160236

O=C(O)Nc1ccc(I)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
HCAR3 P49019 2/20 0.42
PTK2 Q05397 1/20 0.42
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
DEGS1 O15121 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL761089 0.82 PTK2 (0.62) RAB9AMAPTL3MBTL1PTK2SMN1; SMN2
SCHEMBL6625494 0.82 RAB9A (0.43) RAB9AMAPTL3MBTL1HCAR3PTK2
Methane SCHEMBL29283547 0.81 PTK2 (0.61) RAB9AMAPTL3MBTL1PTK2SMN1; SMN2
SCHEMBL28522128 0.79 L3MBTL1 (0.49) RAB9AMAPTL3MBTL1HCAR3PTK2
SCHEMBL20639917 0.79 L3MBTL1 (0.49) RAB9AMAPTL3MBTL1PTK2SMN1; SMN2
SCHEMBL28513546 0.79 RAB9A (0.62) RAB9AL3MBTL1TSHRSMN1; SMN2TP53
SCHEMBL3408832 0.79 TSHR (0.68) RAB9AL3MBTL1TSHRSMN1; SMN2DEGS1
SCHEMBL4164891 0.79 RAB9A (0.50) RAB9AL3MBTL1TSHRSMN1; SMN2DEGS1
SCHEMBL16230884 0.78 TSHR (0.46) RAB9AMAPTL3MBTL1TSHRSMN1; SMN2
SCHEMBL12903841 0.78 KDM4E (0.41) RAB9AMAPTL3MBTL1PTK2DEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 RAB9A 2815/4885MAPT 1732/4885L3MBTL1 4480/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 RAB9A 2629/4885MAPT 1717/4885L3MBTL1 4474/4885

“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.