SCHEMBL3609974

SCHEMBL3609974

O=CNCc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 2/20 0.49
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
PIK3CB P42338 11/20 0.41
PIK3CA P42336 9/20 0.41
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
PRKDC P78527 2/20 0.38
PIK3CG P48736 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CD O00329 1/20 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
SCHEMBL3610061 0.82 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL3604836 0.79 PIK3CB (0.57) CYP1A2CYP2D6MAPTKMT2APIK3CB
SCHEMBL3596067 0.78 KMT2A (0.48) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL3598581 0.78 KMT2A (0.48) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL3599828 0.77 CYP1A2 (0.60) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL13141217 0.77 MAPT (0.60) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL18398994 0.77 CYP1A2 (0.60) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL3601715 0.77 MAPT (0.65) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL3598467 0.77 MAPT (0.60) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL28025178 0.77 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2ARAF1

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 CYP1A2 1185/4885CYP2D6 1107/4885MAPT 2195/4885

“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.