SCHEMBL19294652

SCHEMBL19294652

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nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
ELANE P08246 1/20 0.33
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32

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
SCHEMBL19294659 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA1CA2KMT2APOLB
SCHEMBL7643619 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CA1CA2KMT2APOLB
SCHEMBL3799883 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2KMT2APOLB
SCHEMBL16368818 0.73 SMN1; SMN2 (0.41) SMN1; SMN2CA1CA2KMT2APOLB
SCHEMBL8223673 0.72 CA1 (0.43) SMN1; SMN2CA1CA2POLBNOS3
SCHEMBL15041053 0.72 CA1 (0.43) SMN1; SMN2CA1CA2POLBNOS3
SCHEMBL16486923 0.72 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2POLBNOS3
SCHEMBL12890253 0.72 CA1 (0.43) SMN1; SMN2CA1CA2POLBNOS3
SCHEMBL15041052 0.72 CA1 (0.43) SMN1; SMN2CA1CA2POLBNOS3
SCHEMBL11041537 0.72 CA1 (0.43) SMN1; SMN2CA1CA2POLBNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2017-08-31 US 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-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS PAK5, CDK5, PPIP5K2 SMN1; SMN2 2538/4885CA1 3628/4885CA2 3564/4885

“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.