SCHEMBL3607575

SCHEMBL3607575

Clc1cc(N2CCOCC2)nc(CCc2cccnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.48
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 1/20 0.44
PIK3CB P42338 5/20 0.44
PIK3CD O00329 1/20 0.44
NAPEPLD Q6IQ20 1/20 0.44
PIK3CG P48736 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAD52 P43351 1/20 0.42
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41

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
SCHEMBL3591824 0.85 PIK3CA (0.46) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL3595766 0.85 PIK3CA (0.51) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL3595795 0.84 CHRNB2 (0.44) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL1029556 0.82 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDNAPEPLDPIK3CG
SCHEMBL3558618 0.81 PIK3CA (0.66) PIK3CACYP1A2CYP2D6PIK3CBPIK3CD
SCHEMBL3597671 0.80 PIK3CB (0.45) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL3595762 0.79 CYP2D6 (0.47) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL3599845 0.76 CYP1A2 (0.44) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL13119756 0.76 KDM4E (0.52) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL3600627 0.76 MAPT (0.61) PIK3CAMAPTCYP1A2CYP2D6KMT2A

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-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
CN-101790525-A pharmaceutical compounds HOFFMANN LA ROCHE 2010-07-28 CN disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 PIK3CA 1/4885MAPT 2195/4885CYP1A2 1185/4885

“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.