SCHEMBL4196695

SCHEMBL4196695

COCCNCCCS(=O)(=O)N1CC[CH]CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALDH1A1 P00352 6/20 0.40
SMYD3 Q9H7B4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 2/20 0.34
CA2 P00918 3/20 0.34
PKM P14618 3/20 0.33
KDM4E B2RXH2 3/20 0.32
HTT P42858 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
SCHEMBL4196283 0.92 ALDH1A1 (0.38) MAPTALDH1A1SMYD3SMN1; SMN2CYP3A4
SCHEMBL4203189 0.91 MAPT (0.43) MAPTALDH1A1SMN1; SMN2CYP3A4LMNA
SCHEMBL25245730 0.81 MAPT (0.39) MAPTALDH1A1CYP3A4LMNA
SCHEMBL4206561 0.79 OPRM1 (0.35) MAPTALDH1A1SMN1; SMN2CYP3A4LMNA
SCHEMBL4361092 0.75 CA2 (0.34) MAPTALDH1A1SMYD3SMN1; SMN2LMNA
SCHEMBL4203465 0.75 SMYD3 (0.38) MAPTSMYD3CYP3A4
SCHEMBL4207799 0.75 SMYD3 (0.39) MAPTALDH1A1SMYD3LMNAKDM4E
SCHEMBL4189038 0.74 SMYD3 (0.35) MAPTALDH1A1SMYD3
SCHEMBL4508649 0.72 SMYD3 (0.38) SMYD3
SCHEMBL4505046 0.72 SMYD3 (0.40) SMYD3

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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 MAPT 4715/4885ALDH1A1 537/4885SMYD3 4052/4885

“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.