SCHEMBL3605489

SCHEMBL3605489

COCCNCc1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.40
NAPEPLD Q6IQ20 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
VSIR Q9H7M9 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY1R P25929 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CB P42338 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PIK3CA P42336 2/20 0.38
GAA P10253 1/20 0.38
PIK3CG P48736 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL3607310 0.83 LMNA (0.46) ALDH1A1HTTLMNAL3MBTL1KMT2A
SCHEMBL3598581 0.81 KMT2A (0.48) ALDH1A1HTTLMNAL3MBTL1KMT2A
SCHEMBL3600101 0.79 PIK3CB (0.51) HTTLMNAKMT2ANAPEPLDPIK3CB
SCHEMBL3600948 0.77 PIK3CB (0.54) HTTLMNAKMT2APIK3CBPIK3CA
SCHEMBL3596231 0.77 CYP1A2 (0.38) HTTLMNAKMT2ACYP1A2CYP2D6
SCHEMBL1180613 0.76 PIK3CA (0.47) SMN1; SMN2KCNH2PIK3CBPIK3CAPIK3CG
SCHEMBL17859942 0.75 CYP1A2 (0.54) ALDH1A1HTTLMNAL3MBTL1KMT2A
SCHEMBL12485821 0.74 KMT2A (0.47) ALDH1A1HTTLMNAL3MBTL1KMT2A
SCHEMBL3938069 0.74 CYP1A2 (0.49) ALDH1A1HTTLMNAL3MBTL1KMT2A
SCHEMBL2493395 0.74 CYP1A2 (0.49) ALDH1A1HTTLMNAL3MBTL1KMT2A

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 ALDH1A1 1923/4885HTT 3450/4885LMNA 4801/4885

“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.