SCHEMBL3558706

SCHEMBL3558706

Clc1nc(NCc2ccncc2)cc(N2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 12/20 0.59
PIK3CA P42336 8/20 0.57
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
ALOX12 P18054 1/20 0.54
PIK3CD O00329 1/20 0.51
PKM P14618 2/20 0.48
TSHR P16473 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CYP11B2 P19099 1/20 0.46
ACHE P22303 1/20 0.46
HRH4 Q9H3N8 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
SCHEMBL13406355 0.88 PIK3CA (0.53) PIK3CBPIK3CAHTTKDM4EMAPT
SCHEMBL3554877 0.86 PIK3CB (0.57) PIK3CBPIK3CAHTTPIK3CDPKM
SCHEMBL3560370 0.81 PIK3CA (0.62) PIK3CBPIK3CAHTTKDM4EMAPT
SCHEMBL3554149 0.80 PIK3CA (0.56) PIK3CBPIK3CAHTTKDM4EPIK3CD
SCHEMBL1310145 0.78 HTT (0.64) PIK3CAHTTKDM4EMAPTALOX12
SCHEMBL13406356 0.78 PIK3CA (0.57) PIK3CBPIK3CAPIK3CDACHE
SCHEMBL4138888 0.77 PIK3CA (0.71) PIK3CBPIK3CAPIK3CD
SCHEMBL25593999 0.77 ALDH1A1 (0.57) PIK3CBPIK3CAKDM4EMAPTHRH4
SCHEMBL3556149 0.76 LMNA (0.50) PIK3CBPIK3CAHTTKDM4EMAPT
SCHEMBL26765746 0.74 PIK3CB (0.60) PIK3CBPIK3CAHTTPIK3CDPKM

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-2007042810-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO disclosed
WO-2007042806-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 PIK3CB 10/4885PIK3CA 1/4885HTT 3735/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 PIK3CB 377/4885PIK3CA 137/4885HTT 4363/4885

“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.