SCHEMBL3560778

SCHEMBL3560778

CC(C)(C)C(=O)OCn1ccc2cc(Br)cnc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.42
FGFR4 P22455 2/20 0.42
ENPP3 O14638 4/20 0.40
ENPP1 P22413 3/20 0.40
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NPC1 O15118 2/20 0.33
GLO1 Q04760 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.76 POLB (0.36) POLBGAANPSR1ALDH1A1NPC1
SCHEMBL3568229 0.74 POLB (0.34) POLBGAANPSR1ALDH1A1NPC1
SCHEMBL857211 0.73 FGFR1 (0.43) FGFR1FGFR4ENPP3ENPP1HDAC8
SCHEMBL17253141 0.73 FGFR1 (0.43) FGFR1FGFR4ENPP3ENPP1HDAC8
SCHEMBL1504461 0.72 NPC1 (0.35) POLBGAANPSR1NPC1CYP1A2
SCHEMBL1417507 0.72 DGAT1 (0.46) FGFR1FGFR4ENPP3ENPP1NPC1
SCHEMBL18917768 0.71 STK17B (0.44) FGFR1FGFR4
SCHEMBL31126947 0.71 FGFR1 (0.44) FGFR1FGFR4ENPP3ENPP1HDAC8
SCHEMBL22403208 0.71 FGFR1 (0.36) FGFR1FGFR4ENPP3ENPP1GLO1
SCHEMBL3490203 0.71 POLB (0.39) POLBGAANPSR1ALDH1A1HSD17B10

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 FGFR1 1314/4885FGFR4 1166/4885ENPP3 750/4885

“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.