SCHEMBL3568229

SCHEMBL3568229

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GSK3B P49841 1/20 0.31
NPC1 O15118 1/20 0.31
KRAS P01116 1/20 0.30

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
SCHEMBL3561562 0.84 POLB (0.36) POLBGAANPSR1ALDH1A1GSK3B
SCHEMBL31553251 0.76 DGAT1 (0.38) POLBGSK3BNPC1
SCHEMBL3560214 0.75 GSK3B (0.35) POLBGAANPSR1ALDH1A1GSK3B
SCHEMBL3560778 0.74 FGFR1 (0.42) POLBGAANPSR1ALDH1A1NPC1
SCHEMBL31318222 0.74 GABRG2 (0.34)
SCHEMBL3557621 0.73 GSK3B (0.33) GSK3BNPC1
SCHEMBL3561232 0.73 GSK3B (0.33) POLBGAANPSR1GSK3BNPC1
SCHEMBL3490203 0.72 POLB (0.39) POLBGAANPSR1ALDH1A1
SCHEMBL5821989 0.71 ALDH1A1 (0.60) POLBALDH1A1NPC1
SCHEMBL13342404 0.70 HSD17B10 (0.42) ALDH1A1GSK3B

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 POLB 1562/4885GAA 2457/4885NPSR1 3690/4885

“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.