SCHEMBL3137634

SCHEMBL3137634

Nc1ccc(-c2ccc3nc(NC(=O)CCCN4CCCCC4)sc3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 1.00
ABL1 P00519 1/20 0.61
CYP3A4 P08684 1/20 0.60
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
MET P08581 1/20 0.44
PIK3CG P48736 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3138028 0.91 PIK3CA (0.84) PIK3CAABL1CYP3A4MEN1HTT
SCHEMBL3146399 0.89 PIK3CA (1.00) PIK3CAABL1CYP3A4MEN1HTT
SCHEMBL3132462 0.86 PIK3CA (1.00) PIK3CAABL1CYP3A4DRD2DRD3
SCHEMBL3137796 0.85 PIK3CA (0.75) PIK3CAABL1CYP3A4MEN1KMT2A
SCHEMBL3145930 0.83 PIK3CA (0.77) PIK3CAABL1MEN1HTTKMT2A
SCHEMBL3146355 0.81 PIK3CA (0.67) PIK3CACYP3A4MEN1LMNATP53
SCHEMBL3137839 0.80 PIK3CA (0.82) PIK3CAABL1CYP3A4MEN1HTT
SCHEMBL14189709 0.80 RAB9A (0.69) PIK3CAMEN1LMNATP53HTT
SCHEMBL3140393 0.78 PIK3CA (1.00) PIK3CAABL1CYP3A4MEN1HTT
SCHEMBL3149881 0.77 PIK3CA (0.62) PIK3CAABL1CYP3A4MEN1HTT

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.