SCHEMBL3550609

SCHEMBL3550609

Clc1nc(OCc2ccccn2)cc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.55
PIK3CB P42338 2/20 0.55
PIK3CG P48736 2/20 0.55
FFAR1 O14842 1/20 0.52
PDE10A Q9Y233 2/20 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
PRKDC P78527 5/20 0.48
P2RY12 Q9H244 2/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1617732 0.89 TYK2 (0.61) PIK3CAPIK3CBPIK3CGFFAR1PDE10A
SCHEMBL16583197 0.84 PDE10A (0.66) PIK3CAPIK3CBPIK3CGPDE10A
SCHEMBL3560513 0.81 PIK3CA (0.66) PIK3CAPIK3CBPIK3CGFFAR1PDE10A
SCHEMBL4134049 0.80 PIK3CA (0.69) PIK3CAPIK3CBPIK3CGFFAR1PDE10A
SCHEMBL3554149 0.78 PIK3CA (0.56) PIK3CAPIK3CBPIK3CGTYK2SYK
SCHEMBL1310015 0.78 PTGS2 (0.67) PIK3CAPIK3CBPIK3CGTYK2SYK
SCHEMBL3552584 0.77 PIK3CA (0.74) PIK3CAPIK3CBPIK3CGFFAR1PDE10A
SCHEMBL13406354 0.76 TYK2 (0.58) PIK3CAPIK3CBPIK3CGTYK2SYK
SCHEMBL29997984 0.76 L3MBTL1 (0.51) PIK3CAPIK3CBPDE10AP2RY12LMNA
SCHEMBL17827837 0.76 L3MBTL1 (0.51) PIK3CAPIK3CBPDE10AP2RY12LMNA

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 11 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-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 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
WO-2007042806-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO disclosed
WO-2007042810-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 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 (2 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
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 PIK3CA 137/4885PIK3CB 377/4885PIK3CG 618/4885

“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.