SCHEMBL6840285

SCHEMBL6840285

CCC(Nc1ccn(COCC[Si](C)(C)C)n1)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHB P07195 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
NPC1 O15118 1/20 0.30
F11 P03951 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
GCK P35557 1/20 0.30
ELANE P08246 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
SCHEMBL12277044 0.88 CACNA1G (0.30) CACNA1GCACNA1HCACNA1INPC1
SCHEMBL1688543 0.77 TAS2R8 (0.32) JAK2JAK3F11MAPT
SCHEMBL27076442 0.77 CACNA1G (0.40) CACNA1GCACNA1HCACNA1INPC1TSHR
SCHEMBL19926085 0.73 KMT2A (0.49) NPC1MAPTCYP2C9
SCHEMBL5248123 0.71 ALDH1A1 (0.41) NPC1CYP2C9
SCHEMBL23213224 0.70 CACNA1G (0.40) CACNA1GCACNA1HCACNA1INPC1MAPT
SCHEMBL18074464 0.70 SMN1; SMN2 (0.39) NPC1TSHRMAPTCYP2C9
SCHEMBL24719220 0.70 SMN1; SMN2 (0.51) NPC1MAPTCYP2C9
SCHEMBL401945 0.70 MAPT (0.34) NPC1MAPTCYP2C9GCK
SCHEMBL22807182 0.69 DGAT1 (0.37) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 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 (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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E LDHB 3164/4885JAK2 339/4885JAK1 83/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E LDHB 3245/4885JAK2 352/4885JAK1 91/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E LDHB 2905/4885JAK2 292/4885JAK1 90/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E LDHB 3245/4885JAK2 352/4885JAK1 91/4885

“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.