SCHEMBL4832609

SCHEMBL4832609

Fc1ccc(Oc2nc(NCc3ccccn3)c3c(-c4ccccc4Cl)n[nH]c3n2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.41
KCNA5 P22460 4/20 0.38
JAK2 O60674 2/20 0.38
IGF1R P08069 1/20 0.38
PIM1 P11309 1/20 0.38
SRC P12931 1/20 0.38
CSNK2A2 P19784 1/20 0.38
JAK1 P23458 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
TYK2 P29597 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
MAP3K8 P41279 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3B P49841 1/20 0.38
JAK3 P52333 1/20 0.38
PLK1 P53350 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL4842831 0.87 MAPK14 (0.42) MAPK14MAPK11MAPK8TRPA1
SCHEMBL4833067 0.84 MAPK14 (0.42) MAPK14MAPK11TRPA1
SCHEMBL4842905 0.83 MAPK14 (0.42) MAPK14
SCHEMBL4839439 0.83 MAPK14 (0.46) MAPK14MAPK11TRPA1
SCHEMBL4013149 0.83 MAPK14 (0.40) MAPK14MAPK11TRPA1
SCHEMBL4013138 0.83 MAPK14 (0.43) MAPK14MAPK11DGAT2TRPA1
SCHEMBL4844592 0.83 MAPK14 (0.43) MAPK14MAPK11
SCHEMBL4845132 0.82 MAPK14 (0.41) MAPK14MAPK11TRPA1
SCHEMBL4017610 0.82 MAPK14 (0.42) MAPK14MAPK11TRPA1
SCHEMBL14018819 0.82 MAPK14 (0.42) MAPK14MAPK11TRPA1

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-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US claimed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 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 (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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 MAPK14 70/4885KCNA5 2561/4885JAK2 50/4885

“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.