SCHEMBL3552326

SCHEMBL3552326

Clc1cc(N2CCOCC2)nc(NCc2ccccn2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.65
PIK3CB P42338 7/20 0.54
PIK3CG P48736 2/20 0.54
PIK3CD O00329 1/20 0.54
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
RAF1 P04049 1/20 0.50
BRAF P15056 1/20 0.50
TYK2 P29597 1/20 0.50
SYK P43405 1/20 0.50
BRSK1 Q8TDC3 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
OGA O60502 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL13406351 0.90 PIK3CA (0.67) PIK3CAPIK3CBPIK3CGPIK3CDHTT
SCHEMBL3554149 0.83 PIK3CA (0.56) PIK3CAPIK3CBPIK3CGPIK3CDHTT
SCHEMBL1309502 0.80 HTT (0.56) PIK3CAPIK3CBPIK3CGPIK3CDHTT
SCHEMBL3560370 0.80 PIK3CA (0.62) PIK3CAPIK3CBPIK3CDHTTPKM
SCHEMBL3556495 0.79 MAOA (0.56) HTTTYK2IRAK4CYP1A2MAPT
SCHEMBL3560513 0.79 PIK3CA (0.66) PIK3CAPIK3CBPIK3CGHTTTYK2
SCHEMBL30273129 0.78 TYK2 (0.72) PIK3CAPIK3CBPIK3CGPIK3CDHTT
SCHEMBL1617807 0.78 TYK2 (0.72) PIK3CAPIK3CBPIK3CGPIK3CDHTT
SCHEMBL3558618 0.78 PIK3CA (0.66) PIK3CAPIK3CBPIK3CDHTTPKM
SCHEMBL8348735 0.77 RAF1 (0.58) PIK3CBHTTPKMTSHRCRHBP

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-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US 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-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 PIK3CA 1/4885PIK3CB 10/4885PIK3CG 15/4885

“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.