SCHEMBL5951557

SCHEMBL5951557

CCCCCCOC(=O)[C@]1(O)CC2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMTK3 Q96Q04 2/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
PDK1 Q15118 1/20 1.00
NTRK1 P04629 8/20 0.77
PRKCQ Q04759 7/20 0.77
KDR P35968 7/20 0.77
PRKD3 O94806 5/20 0.77
PRKCA P17252 5/20 0.77
PRKCH P24723 5/20 0.77
PRKCI P41743 5/20 0.77
PRKCE Q02156 5/20 0.77
PRKCD Q05655 5/20 0.77
PRKD1 Q15139 5/20 0.77
MAP3K11 Q16584 5/20 0.77
PRKCG P05129 4/20 0.77
PRKCB P05771 4/20 0.77
PRKCZ Q05513 4/20 0.77
MYLK Q15746 4/20 0.77
MAP3K9 P80192 4/20 0.77
MAP3K10 Q02779 4/20 0.77

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
SCHEMBL29394491 1.00 LMTK3 (1.00) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL24393927 1.00 LMTK3 (1.00) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL16112156 1.00 LMTK3 (1.00) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL13169944 1.00 LMTK3 (1.00) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL31119069 1.00 LMTK3 (1.00) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL23499574 0.88 LMTK3 (0.78) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
K-252A SCHEMBL31181849 0.87 NTRK1 (1.00) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
K-252A SCHEMBL24112155 0.87 NTRK1 (1.00) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
K-252A SCHEMBL29660621 0.87 NTRK1 (1.00) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
K-252A SCHEMBL32665760 0.87 NTRK1 (1.00) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168178-B2 Methods and compositions for regulating lymphocyte activity CURIS, INC. (US) 2012-05-01 US disclosed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
US-20100144616-A1 Neuroprotective methods and reagents CURIS, INC. (US) 2010-06-10 US disclosed
US-20070254364-A1 Methods and compositions for treating disorders involving excitotoxicity GALDES ALPHONSE 2007-11-01 US disclosed
US-20070110698-A1 Regulation of epithelial tissue by hedgehog-like polypeptides, and formulations and uses related thereto WANG ELIZABETH A 2007-05-17 US 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 (4 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-20070110698-A1 Regulation of epithelial tissue by hedgehog-like polypeptides, and formulations and uses related thereto SHH, HDGF, HGF LMTK3 4082/4885SMN1; SMN2 4744/4885PDK1 3568/4885
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES HIF1AN, HIF1A, EGLN3 LMTK3 3855/4885SMN1; SMN2 4349/4885PDK1 619/4885
US-20070254364-A1 Methods and compositions for treating disorders involving excitotoxicity GRIK5, GRIK3, GRIK4 LMTK3 3619/4885SMN1; SMN2 205/4885PDK1 3975/4885
US-20100144616-A1 Neuroprotective methods and reagents SHH, GLI1, DCX LMTK3 4085/4885SMN1; SMN2 163/4885PDK1 2700/4885

“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.