SCHEMBL3554149

SCHEMBL3554149

Clc1nc(NCc2ccccn2)cc(N2CCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.56
PIK3CB P42338 11/20 0.55
PIK3CG P48736 3/20 0.55
TYK2 P29597 2/20 0.54
SYK P43405 2/20 0.54
IRAK4 Q9NWZ3 2/20 0.54
BRSK1 Q8TDC3 1/20 0.54
PIK3CD O00329 1/20 0.53
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
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
FES P07332 1/20 0.44
FER P16591 1/20 0.44
FRK P42685 1/20 0.44
CAMK1D Q8IU85 1/20 0.44
PIKFYVE Q9Y2I7 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
SCHEMBL13406354 0.89 TYK2 (0.58) PIK3CAPIK3CBPIK3CGTYK2SYK
SCHEMBL3552326 0.83 PIK3CA (0.65) PIK3CAPIK3CBPIK3CGTYK2SYK
SCHEMBL3558706 0.80 PIK3CB (0.59) PIK3CAPIK3CBPIK3CDKDM4EHTT
SCHEMBL4133831 0.79 PIK3CA (0.72) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1309502 0.79 HTT (0.56) PIK3CAPIK3CBPIK3CGPIK3CDKDM4E
SCHEMBL3554877 0.79 PIK3CB (0.57) PIK3CAPIK3CBPIK3CDHTT
SCHEMBL3550609 0.78 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGTYK2SYK
SCHEMBL1617732 0.76 TYK2 (0.61) PIK3CAPIK3CBPIK3CGTYK2SYK
SCHEMBL3560364 0.76 KDM4E (0.53) TYK2IRAK4KDM4EALDH1A1HTT
SCHEMBL25593999 0.74 ALDH1A1 (0.57) PIK3CAPIK3CBKDM4EALDH1A1KMT2A

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.