SCHEMBL1366043

SCHEMBL1366043

NC1CCN(c2ncc3c(n2)CCOC3)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ROCK2 O75116 2/20 0.40
HRH4 Q9H3N8 3/20 0.38
DYRK1A Q13627 2/20 0.38
HSP90AB1 P08238 3/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKT1 P31749 3/20 0.33
PTPN11 Q06124 1/20 0.33
CAMK1D Q8IU85 2/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL1364993 0.92 PTPN11 (0.39) HSP90AB1POLBSMN1; SMN2PTPN11
SCHEMBL13690044 0.82 HSP90AB1 (0.50) HSP90AB1POLBSMN1; SMN2
SCHEMBL12142170 0.81 HSP90AB1 (0.35) HSP90AB1POLBSMN1; SMN2
SCHEMBL12143536 0.81 HSP90AB1 (0.37) HSP90AB1POLBSMN1; SMN2
SCHEMBL3721054 0.79 KDM4E (0.49) HSP90AB1POLBSMN1; SMN2
SCHEMBL12142330 0.78 LMNA (0.45) MKNK1MKNK2ROCK2DYRK1AHSP90AB1
SCHEMBL13572986 0.78 LMNA (0.45) MKNK1MKNK2ROCK2DYRK1AHSP90AB1
SCHEMBL16509717 0.77 LMNA (0.35) HSP90AB1
Hydrochloric Acid SCHEMBL1367050 0.77 LMNA (0.44) MKNK1MKNK2ROCK2DYRK1AHSP90AB1
Hydrochloric Acid SCHEMBL1543006 0.77 LMNA (0.44) MKNK1MKNK2ROCK2DYRK1AHSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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 (2 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S MKNK1 4171/4885MKNK2 4203/4885ROCK2 3382/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S MKNK1 4171/4885MKNK2 4203/4885ROCK2 3382/4885

“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.