SCHEMBL3604032

SCHEMBL3604032

Clc1cc(N2CCOCC2)nc(CNCCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 0.51
OGA O60502 1/20 0.51
HTT P42858 3/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
PIK3CA P42336 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
ACHE P22303 1/20 0.45
NAPEPLD Q6IQ20 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL3604836 0.90 PIK3CB (0.57) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3600101 0.82 PIK3CB (0.51) PIK3CBOGAHTTPKMTSHR
SCHEMBL3595766 0.80 PIK3CA (0.51) PIK3CBPIK3CACYP1A2CYP2D6MAPT
SCHEMBL3598581 0.79 KMT2A (0.48) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3596067 0.79 KMT2A (0.48) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3605822 0.78 MAPT (0.43) PIK3CBPIK3CACYP1A2CYP2D6MAPT
SCHEMBL913203 0.78 MAPT (0.49) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3607480 0.77 MAPT (0.51) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3610061 0.76 CYP1A2 (0.56) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3609974 0.76 CYP1A2 (0.52) PIK3CBPIK3CACYP1A2CYP2D6MAPT

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 PIK3CB 9/4885OGA 4255/4885HTT 3450/4885

“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.