SCHEMBL3595795

SCHEMBL3595795

CN(Cc1cccnc1)Cc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CD O00329 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CA P42336 5/20 0.43
NAPEPLD Q6IQ20 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
RAD52 P43351 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CDK2 P24941 1/20 0.40
CTSL P07711 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL3607291 0.85 CHRNB2 (0.44) CHRNB2CHRNA4PIK3CBPIK3CDPIK3CA
SCHEMBL3597671 0.85 PIK3CB (0.45) PIK3CBPIK3CDKMT2APIK3CANAPEPLD
SCHEMBL3607575 0.84 PIK3CA (0.48) PIK3CBPIK3CDKMT2APIK3CANAPEPLD
SCHEMBL3591824 0.82 PIK3CA (0.46) PIK3CBPIK3CDKMT2APIK3CACYP1A2
SCHEMBL3595766 0.82 PIK3CA (0.51) PIK3CBPIK3CDKMT2APIK3CACYP1A2
SCHEMBL13119756 0.81 KDM4E (0.52) PIK3CBPIK3CDKMT2APIK3CANAPEPLD
SCHEMBL3602197 0.80 KMT2A (0.44) PIK3CBKMT2ANAPEPLDCYP1A2CYP2D6
SCHEMBL3606729 0.77 KMT2A (0.42) PIK3CBKMT2ANAPEPLDCYP1A2CYP2D6
SCHEMBL3558618 0.77 PIK3CA (0.66) PIK3CBPIK3CDPIK3CACYP1A2CYP2D6
SCHEMBL3598933 0.76 PIK3CA (0.47) PIK3CBPIK3CDPIK3CANAPEPLDPIK3CG

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 6 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
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 CHRNB2 4672/4885CHRNA4 4518/4885PIK3CB 9/4885

“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.