SCHEMBL1014094

SCHEMBL1014094

COC(=O)c1cnc(C)nc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
SLC6A3 Q01959 2/20 0.38
OPRK1 P41145 2/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
ATM Q13315 1/20 0.36
HTR2C P28335 1/20 0.36
HPGD P15428 2/20 0.35
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL1013142 0.94 HSD11B1 (0.52) HSD11B1JAK2JAK1JAK3OPRK1
SCHEMBL17092252 0.90 HTR2C (0.47) HSD11B1PDK2PDK4JAK2JAK1
SCHEMBL3821041 0.85 CSNK1D (0.46) HSD11B1KDM4EALDH1A1ATMHPGD
SCHEMBL3820437 0.84 FOS (0.42) HSD11B1PDK2PDK4JAK2JAK1
SCHEMBL1014879 0.84 HSD11B1 (0.43) HSD11B1JAK2JAK1JAK3SLC6A3
SCHEMBL12615369 0.83 SLC6A3 (0.38) HSD11B1PDK2PDK4JAK2JAK1
SCHEMBL1014732 0.83 HSD11B1 (0.43) HSD11B1JAK2JAK1JAK3SLC6A3
SCHEMBL1015670 0.82 HSD11B1 (0.50) HSD11B1JAK2JAK1JAK3KDM4E
SCHEMBL3825584 0.81 HSD11B1 (0.49) HSD11B1JAK2JAK1JAK3
SCHEMBL25308090 0.81 PDE4B (0.43) ALDH1A1FOSJUNNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
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
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 HSD11B1 2/4885PDK2 451/4885PDK4 477/4885
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 HSD11B1 87/4885PDK2 20/4885PDK4 36/4885

“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.