SCHEMBL3261463

SCHEMBL3261463

COC(=O)C1(c2ccc(Nc3nc(-c4ccc(F)cc4)cc(N4CCOCC4)n3)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
AIMP2 Q13155 1/20 0.43
AURKA O14965 1/20 0.43
LMNA P02545 1/20 0.43
JAK2 O60674 5/20 0.42
MTOR P42345 3/20 0.42
PIK3CA P42336 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
MET P08581 1/20 0.40
JAK3 P52333 3/20 0.40
AKT1 P31749 3/20 0.40
JAK1 P23458 2/20 0.40
LCK P06239 1/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL3226000 0.91 MAPT (0.46) MAPTAIMP2LMNAJAK2MTOR
SCHEMBL3229312 0.87 JAK2 (0.47) AIMP2AURKAJAK2MTORPIK3CA
SCHEMBL3264973 0.86 RAF1 (0.43) AIMP2AURKAPIK3CDPIK3CG
SCHEMBL3450648 0.83 MAPT (0.62) MAPTAIMP2LMNAJAK2CYP3A4
SCHEMBL3233971 0.82 AURKA (0.43) MAPTAURKALMNACYP3A4HDAC6
SCHEMBL3229537 0.82 JAK2 (0.46) AIMP2AURKAJAK2MTORPIK3CA
SCHEMBL3451674 0.82 PTGS2 (0.60) MAPTAIMP2AURKAJAK2MTOR
SCHEMBL3223663 0.80 MAPT (0.40) MAPTAURKALMNAJAK2JAK3
SCHEMBL3228961 0.79 MAPT (0.47) MAPTLMNACA12CA9AKT1
SCHEMBL3236260 0.79 SLC2A1 (0.40) AURKA

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 MAPT 4861/4885AIMP2 3956/4885AURKA 975/4885

“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.