SCHEMBL1014150

SCHEMBL1014150

COC(=O)c1cnc(C(C)C)nc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
HSD11B1 P28845 4/20 0.37
OPRK1 P41145 12/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1013190 0.85 KDM4E (0.37) JAK2JAK1JAK3HSD11B1KDM4E
SCHEMBL1013142 0.82 HSD11B1 (0.52) JAK2JAK1JAK3HSD11B1OPRK1
SCHEMBL1013256 0.81 CSNK1D (0.40) JAK2JAK1JAK3HSD11B1OPRK1
SCHEMBL8140882 0.79 KDM4E (0.39) JAK2JAK1JAK3HSD11B1ALDH1A1
SCHEMBL1013236 0.78 MEN1 (0.43) HSD11B1OPRK1ALDH1A1
SCHEMBL1014489 0.77 MEN1 (0.42) HSD11B1OPRK1ALDH1A1
SCHEMBL1587502 0.77 PDE4B (0.43) HSD11B1OPRK1ALDH1A1NPSR1HSD17B10
SCHEMBL1015686 0.76 MEN1 (0.43) ALDH1A1
SCHEMBL1014094 0.76 HSD11B1 (0.50) JAK2JAK1JAK3HSD11B1OPRK1
SCHEMBL3820437 0.76 FOS (0.42) JAK2JAK1JAK3HSD11B1OPRK1

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
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
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
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US 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 JAK2 1756/4885JAK1 1245/4885JAK3 2756/4885

“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.