SCHEMBL3596067

SCHEMBL3596067

CN(C)CCNCc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
PIK3CB P42338 9/20 0.38
PIK3CA P42336 3/20 0.38
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TERT O14746 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL3598581 0.83 KMT2A (0.48) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL3610061 0.81 CYP1A2 (0.56) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL3604032 0.79 PIK3CB (0.51) KMT2ACYP1A2CYP2D6MAPTPIK3CB
SCHEMBL3609974 0.78 CYP1A2 (0.52) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL3604836 0.77 PIK3CB (0.57) KMT2ACYP1A2CYP2D6MAPTPIK3CB
SCHEMBL18398994 0.76 CYP1A2 (0.60) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL1028748 0.76 PIK3CB (0.49) KMT2ACYP1A2CYP2D6MAPTPIK3CB
SCHEMBL3605822 0.76 MAPT (0.43) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL13141217 0.74 MAPT (0.60) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL3599828 0.74 CYP1A2 (0.60) KMT2ACYP1A2CYP2D6MAPTRAF1

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 4 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
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 KMT2A 3423/4885CYP1A2 1185/4885CYP2D6 1107/4885

“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.