SCHEMBL3558618

SCHEMBL3558618

Clc1cc(N2CCOCC2)nc(NCc2cccnc2)n1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.66
RAD52 P43351 1/20 0.59
PIK3CB P42338 6/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
CRHBP P24387 1/20 0.57
HTT P42858 1/20 0.57
CRHR2 Q13324 1/20 0.57
PIK3CD O00329 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
OGA O60502 1/20 0.50
CDK2 P24941 1/20 0.49
RAF1 P04049 1/20 0.49
BRAF P15056 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
SCHEMBL1029556 0.90 PIK3CA (0.67) PIK3CARAD52PIK3CBPKMTSHR
SCHEMBL3560370 0.86 PIK3CA (0.62) PIK3CAPIK3CBPKMTSHRCRHBP
SCHEMBL3595766 0.84 PIK3CA (0.51) PIK3CARAD52PIK3CBPIK3CDCYP1A2
SCHEMBL3554877 0.83 PIK3CB (0.57) PIK3CARAD52PIK3CBPKMTSHR
SCHEMBL1028449 0.82 CHEK1 (0.53) PIK3CAPIK3CBHTTCYP1A2CYP2D6
SCHEMBL3607575 0.81 PIK3CA (0.48) PIK3CARAD52PIK3CBPIK3CDCYP1A2
SCHEMBL1310053 0.81 RAD52 (0.72) PIK3CARAD52PIK3CBPKMHTT
SCHEMBL3553378 0.80 PKM (0.61) RAD52PKMHTTCYP1A2CYP3A4
SCHEMBL13406352 0.78 PIK3CA (0.64) PIK3CAPIK3CBPKMTSHRCRHBP
SCHEMBL3552326 0.78 PIK3CA (0.65) PIK3CAPIK3CBPKMTSHRCRHBP

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 7 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
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 (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 1/4885RAD52 3444/4885PIK3CB 10/4885

“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.