SCHEMBL3229537

SCHEMBL3229537

COc1ccc(-c2cc(N3CCOCC3)nc(Nc3ccc(C4(C(=O)O)CCC4)cc3)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.46
JAK3 P52333 3/20 0.46
PTK2 Q05397 1/20 0.46
PIK3CA P42336 4/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
MTOR P42345 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
ZAP70 P43403 1/20 0.44
ATR Q13535 1/20 0.42
AURKA O14965 1/20 0.41
AIMP2 Q13155 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MYLK4 Q86YV6 1/20 0.39
STK17A Q9UEE5 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
SMG1 Q96Q15 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
SCHEMBL3229312 0.94 JAK2 (0.47) JAK2JAK3PTK2PIK3CAPIK3CD
SCHEMBL3226000 0.85 MAPT (0.46) JAK2JAK3PIK3CAPIK3CDPIK3CB
SCHEMBL3237047 0.84 RAF1 (0.46) PIK3CDPIK3CGAURKAPIK3R5RAF1
SCHEMBL3261463 0.82 MAPT (0.44) JAK2JAK3PIK3CAPIK3CDPIK3CB
SCHEMBL3264973 0.80 RAF1 (0.43) PIK3CDPIK3CGZAP70AURKAAIMP2
SCHEMBL3233859 0.80 AURKA (0.45) PIK3CGAURKAPIK3R5RAF1BRAF
SCHEMBL3235876 0.79 RAF1 (0.41) ATRAURKARAF1BRAFMEN1
SCHEMBL3229017 0.77 SLC2A1 (0.41) JAK2JAK3AURKARAF1BRAF
SCHEMBL3233971 0.75 AURKA (0.43) PIK3CGAURKAPIK3R5RAF1BRAF
SCHEMBL3228755 0.75 MAPT (0.41) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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 7 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 claimed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO claimed
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
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 JAK2 78/4885JAK3 532/4885PTK2 2532/4885

“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.