SCHEMBL1014835

SCHEMBL1014835

CSc1ncc(C(=O)NC2CCCCCC2)c(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.61
THRB P10828 3/20 0.60
RXFP1 Q9HBX9 9/20 0.59
MAPT P10636 2/20 0.56
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL1014017 1.00 PDE4B (0.61) PDE4BTHRBRXFP1MAPTTP53
SCHEMBL1015071 0.94 PDE4B (0.68) PDE4BTHRBRXFP1MAPTTP53
SCHEMBL1015585 0.81 RAB9A (0.53) PDE4BMAPTRAB9A
SCHEMBL1014628 0.81 RAB9A (0.53) PDE4BMAPTRAB9A
SCHEMBL1014765 0.79 RAB9A (0.51) PDE4BMAPTPOLBRAB9A
SCHEMBL1014054 0.79 RAB9A (0.51) PDE4BMAPTPOLBRAB9A
SCHEMBL6016541 0.77 THRB (0.66) THRBRXFP1MAPTTP53POLB
SCHEMBL22440422 0.76 PDE4B (1.00) PDE4BMAPTTP53
SCHEMBL1018338 0.76 RAB9A (0.48) PDE4BMAPTPOLBRAB9A
SCHEMBL1015077 0.76 RAB9A (0.48) PDE4BMAPTPOLBRAB9A

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
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 PDE4B 474/4885THRB 1031/4885RXFP1 3075/4885

“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.