SCHEMBL4308970

SCHEMBL4308970

C1=NCCCC1.NC(=O)c1cc[nH]c(=O)n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.31
DYRK1A Q13627 1/20 0.30
PDPK1 O15530 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2787055 0.84 PDPK1 (0.39) RIPK1DYRK1APDPK1MAPK1
SCHEMBL4309792 0.78 JAK3 (0.33)
Pyrrole SCHEMBL12467466 0.76 PDPK1 (0.38) RIPK1PDPK1MAPK1
Carbamic Acid SCHEMBL1795160 0.69 ACHE (0.35)
SCHEMBL4102491 0.68 KDM4E (0.48)
Acetamide SCHEMBL4906100 0.67 LMNA (0.38)
SCHEMBL4112718 0.67 P2RX7 (0.49) DYRK1AMAPK1
SCHEMBL7052922 0.67 KDM4E (0.32) DYRK1A
SCHEMBL10424836 0.65 PDPK1 (0.38) RIPK1PDPK1MAPK1
SCHEMBL19463620 0.64 PIM1 (0.43) RIPK1PDPK1MAPK1

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-20090136570-A1 Taste-Masked Tablets and Granules UNIVERSITAT ZURICH (CH) 2009-05-28 US disclosed
EP-1904067-A2 PHARMACEUTICAL FORMULATION OF CARBOXAMIDE HIV INTEGRASE INHIBITORS CONTAINING A RELEASE RATE CONTROLLING COMPOSITION Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007087188-A2 TASTE-MASKED TABLETS AND GRANULES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2006060711-A2 PHARMACEUTICAL FORMULATION OF CARBOXAMIDE HIV INTEGRASE INHIBITORS CONTAINING A RELEASE RATE CONTROLLING COMPOSITION MERCK & CO., INC. (US) 2006-06-08 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-20090136570-A1 Taste-Masked Tablets and Granules TAS2R30, TAS2R40, TAS2R42 RIPK1 300/4885DYRK1A 3371/4885PDPK1 1726/4885

“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.