SCHEMBL3221099

SCHEMBL3221099

O=C(O)C1(c2ccc(Nc3cc(-c4ccccc4)nc(N4CCOCC4)n3)cc2)CCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.61
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
PIK3CD O00329 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 1/20 0.48

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
SCHEMBL3220962 0.92 PIK3CA (0.58) PIK3CALMNAPOLBHTTHSD17B10
SCHEMBL3261263 0.88 PIK3CA (0.46) PIK3CALMNAPOLBHTTHSD17B10
SCHEMBL3221101 0.83 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3229117 0.83 LMNA (0.45) PIK3CALMNAPOLBHSD17B10PIK3CD
SCHEMBL3220901 0.81 PIK3CA (0.46) PIK3CALMNAPOLBHSD17B10PIK3CD
SCHEMBL3421503 0.80 PIK3CA (0.44) PIK3CALMNAPOLBHTTHSD17B10
SCHEMBL3227518 0.77 MAPT (0.48) LMNAPOLB
SCHEMBL3230202 0.77 MAPT (0.48) LMNA
SCHEMBL1826851 0.76 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3229102 0.76 ADORA3 (0.49)

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 6 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

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 PIK3CA 2690/4885LMNA 4521/4885POLB 2748/4885

“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.