SCHEMBL3600948

SCHEMBL3600948

Clc1nc(CNCc2ccccc2)cc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 14/20 0.54
HTT P42858 3/20 0.54
PKM P14618 2/20 0.54
TSHR P16473 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
PIK3CA P42336 7/20 0.52
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.45
PIK3CD O00329 1/20 0.44
AKT1 P31749 1/20 0.44

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
SCHEMBL3600101 0.90 PIK3CB (0.51) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3588014 0.88 PIK3CA (0.51) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3604836 0.81 PIK3CB (0.57) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3592537 0.79 PIK3CB (0.46) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3607310 0.79 LMNA (0.46) PIK3CBHTTPIK3CALMNAKMT2A
SCHEMBL3613154 0.79 PIK3CB (0.46) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL3605489 0.77 ALDH1A1 (0.43) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL17859942 0.76 CYP1A2 (0.54) PIK3CBHTTCRHBPCRHR2LMNA
SCHEMBL3600075 0.75 MTOR (0.67) PIK3CBHTTPKMTSHRPIK3CA
SCHEMBL3938069 0.74 CYP1A2 (0.49) PIK3CBHTTCRHBPCRHR2PIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 9/4885HTT 3450/4885PKM 477/4885

“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.