SCHEMBL3598581

SCHEMBL3598581

COCCNCc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 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
KDM4E B2RXH2 2/20 0.40
NAPEPLD Q6IQ20 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CB P42338 5/20 0.38

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
SCHEMBL3596067 0.83 KMT2A (0.48) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL1375024 0.81 KMT2A (0.51) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL3605489 0.81 ALDH1A1 (0.43) KMT2ACYP1A2CYP2D6MAPTKDM4E
SCHEMBL3610061 0.81 CYP1A2 (0.56) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL3604032 0.79 PIK3CB (0.51) KMT2ACYP1A2CYP2D6MAPTNAPEPLD
SCHEMBL3609974 0.78 CYP1A2 (0.52) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL3604836 0.77 PIK3CB (0.57) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL18398994 0.76 CYP1A2 (0.60) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL3605822 0.76 MAPT (0.43) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL13141217 0.74 MAPT (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.