SCHEMBL3146399

SCHEMBL3146399

Nc1ccc(-c2ccc3nc(NC(=O)CN4CCCCC4)sc3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 1.00
ABL1 P00519 1/20 0.65
CYP3A4 P08684 1/20 0.64
KDM4E B2RXH2 1/20 0.58
TSHR P16473 1/20 0.58
CLK1 P49759 3/20 0.53
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 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
SCHEMBL3137839 0.90 PIK3CA (0.82) PIK3CAABL1CYP3A4CLK1ALDH1A1
SCHEMBL3137634 0.89 PIK3CA (1.00) PIK3CAABL1CYP3A4KDM4ETSHR
SCHEMBL3137796 0.85 PIK3CA (0.75) PIK3CAABL1CYP3A4TSHRKMT2A
SCHEMBL19808018 0.80 PIK3CA (0.66) PIK3CACYP3A4KDM4ETSHRCLK1
SCHEMBL3138028 0.80 PIK3CA (0.84) PIK3CAABL1CYP3A4CLK1ALDH1A1
SCHEMBL20855288 0.79 ABL1 (1.00) PIK3CAABL1CYP3A4KMT2ASMN1; SMN2
SCHEMBL3131485 0.79 PIK3CA (1.00) PIK3CAABL1CYP3A4
SCHEMBL19808002 0.79 PIK3CA (0.65) PIK3CACYP3A4CLK1
SCHEMBL11262482 0.78 KDM4E (0.64) PIK3CAKDM4ETSHRCLK1ALDH1A1
SCHEMBL11265935 0.78 KDM4E (0.64) PIK3CAKDM4ETSHRCLK1ALDH1A1

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-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
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.