SCHEMBL3561232

SCHEMBL3561232

CC(C)(C)C(=O)OCn1cc(C2OCc3ccccc32)c2cc(Br)cnc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3567049 0.80 MAP4K1 (0.41)
SCHEMBL13342402 0.77 GSK3B (0.40) GSK3B
SCHEMBL3561562 0.75 POLB (0.36) GSK3BNPC1POLBGAANPSR1
SCHEMBL3566219 0.74 KDM4E (0.33) GSK3BNPC1
SCHEMBL3568229 0.73 POLB (0.34) GSK3BNPC1POLBGAANPSR1
SCHEMBL3560214 0.73 GSK3B (0.35) GSK3BNPC1POLBGAANPSR1
SCHEMBL3557621 0.71 GSK3B (0.33) GSK3BNPC1
SCHEMBL3560778 0.68 FGFR1 (0.42) NPC1POLBGAANPSR1
SCHEMBL3490203 0.65 POLB (0.39) POLBGAANPSR1
SCHEMBL3490148 0.64 MERTK (0.38) POLB

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-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
EP-2134343-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 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-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 GSK3B 899/4885NPC1 4738/4885POLB 1562/4885

“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.