SCHEMBL3264973

SCHEMBL3264973

COC(=O)C1(c2ccc(Nc3nc(-c4cnn(C)c4)cc(N4CCOCC4)n3)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.43
BRAF P15056 3/20 0.43
TTK P33981 1/20 0.43
AURKA O14965 1/20 0.42
PIK3CD O00329 6/20 0.41
PIK3CG P48736 2/20 0.41
PIK3R1 P27986 1/20 0.41
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
AIMP2 Q13155 1/20 0.39
JUN P05412 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
ZAP70 P43403 1/20 0.38
PTGS2 P35354 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
SCHEMBL3236260 0.93 SLC2A1 (0.40) RAF1BRAFAURKAZAP70
SCHEMBL3237047 0.92 RAF1 (0.46) RAF1BRAFTTKAURKAPIK3CD
SCHEMBL3260594 0.89 PIM1 (0.38) RAF1TTKWNT1GSK3BDYRK1A
SCHEMBL3261463 0.86 MAPT (0.44) AURKAPIK3CDPIK3CGAIMP2
SCHEMBL3229312 0.86 JAK2 (0.47) AURKAPIK3CDPIK3CGPIK3R1AIMP2
SCHEMBL3229017 0.85 SLC2A1 (0.41) RAF1BRAFAURKAPTGS2
SCHEMBL3233949 0.82 PIM1 (0.39) RAF1BRAFWNT1GSK3BDYRK1A
SCHEMBL3233971 0.81 AURKA (0.43) RAF1BRAFAURKAPIK3CGPIK3R5
SCHEMBL3229537 0.80 JAK2 (0.46) RAF1BRAFAURKAPIK3CDPIK3CG
SCHEMBL3226000 0.78 MAPT (0.46) RAF1BRAFPIK3CDPIK3CGAIMP2

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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 RAF1 4118/4885BRAF 3142/4885TTK 198/4885

“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.