SCHEMBL2278592

SCHEMBL2278592

Cn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 20/20 1.00
MAPKAPK2 P49137 2/20 1.00
LCK P06239 1/20 1.00
CYP3A4 P08684 1/20 1.00
RPS6KB1 P23443 1/20 1.00
MAPK8 P45983 1/20 1.00
EGFR P00533 2/20 0.72
SRC P12931 1/20 0.72
MAPK14 Q16539 1/20 0.72
CAMK2B Q13554 1/20 0.70
CAMK2G Q13555 1/20 0.70
CAMK2D Q13557 1/20 0.70
CAMK2A Q9UQM7 1/20 0.70

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
SCHEMBL4960478 0.93 MAP3K8 (0.88) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1
SCHEMBL4961764 0.88 MAP3K8 (0.83) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1
SCHEMBL27707433 0.86 MAP3K8 (0.76) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1
SCHEMBL27728076 0.85 MAP3K8 (1.00) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1
SCHEMBL4963384 0.85 MAP3K8 (0.77) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1
SCHEMBL4962272 0.84 MAP3K8 (0.88) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1
SCHEMBL4963684 0.84 MAP3K8 (0.75) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1
SCHEMBL27707451 0.84 MAP3K8 (0.81) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1
SCHEMBL4959509 0.84 MAP3K8 (0.75) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1
SCHEMBL27728272 0.84 MAP3K8 (0.84) MAP3K8MAPKAPK2LCKCYP3A4RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009045397-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DESEASE (PKD) OR OTHER CYST FORMING DISEASES STOWERS INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-09 WO claimed
US-20080269123-A1 Methods for treating polycystic kidney disease (PKD) or other cyst forming diseases STOWERS MEDICAL INSTITUTE INC. 2008-10-30 US claimed
US-8007790-B2 Using modulator of tumor necrosis factor (TNF) pathway such as infliximab, simvastatin; drug screening STOWERS INSTITUTE FOR MEDICAL RESEARCH (US) 2011-08-30 US disclosed
WO-2009045397-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DESEASE (PKD) OR OTHER CYST FORMING DISEASES STOWERS INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-09 WO disclosed
US-20080269123-A1 Methods for treating polycystic kidney disease (PKD) or other cyst forming diseases STOWERS MEDICAL INSTITUTE INC. 2008-10-30 US disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 MAP3K8 84/4885MAPKAPK2 110/4885LCK 296/4885

“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.