SCHEMBL3138028

SCHEMBL3138028

Nc1ccc(-c2ccc3nc(NC(=O)CCCN4CCOCC4)sc3c2)cn1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.84
ABL1 P00519 4/20 0.59
CYP3A4 P08684 1/20 0.58
MET P08581 1/20 0.54
HTT P42858 2/20 0.52
CLK1 P49759 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
AHR P35869 1/20 0.49

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
SCHEMBL3145930 0.92 PIK3CA (0.77) PIK3CAABL1METHTTCLK1
SCHEMBL3137634 0.91 PIK3CA (1.00) PIK3CAABL1CYP3A4METHTT
SCHEMBL3137839 0.89 PIK3CA (0.82) PIK3CAABL1CYP3A4HTTCLK1
SCHEMBL3140393 0.86 PIK3CA (1.00) PIK3CAABL1CYP3A4METHTT
SCHEMBL3149881 0.86 PIK3CA (0.62) PIK3CAABL1CYP3A4METHTT
SCHEMBL2765151 0.82 PIK3CA (0.62) PIK3CAABL1METHTTCLK1
SCHEMBL14189710 0.81 SMN1; SMN2 (0.77) PIK3CAMETHTTCLK1KMT2A
SCHEMBL3146436 0.81 CLK1 (0.77) PIK3CACYP3A4METHTTCLK1
SCHEMBL3146399 0.80 PIK3CA (1.00) PIK3CAABL1CYP3A4HTTCLK1
SCHEMBL2782362 0.79 DRD2 (0.64) PIK3CAHTTCLK1KMT2ASMN1; SMN2

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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885ABL1 324/4885CYP3A4 4192/4885

“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.