SCHEMBL1014425

SCHEMBL1014425

Cc1nc(N2CCOCC2)ncc1C(=O)NC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.61
BRAF P15056 1/20 0.53
BMPR1B O00238 1/20 0.53
BMPR1A P36894 1/20 0.53
TGFBR1 P36897 1/20 0.53
ACVRL1 P37023 1/20 0.53
ACVR1 Q04771 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR2 P34972 3/20 0.50
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
PIK3CD O00329 1/20 0.47
NR3C1 P04150 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL1015182 1.00 HSD11B1 (0.61) HSD11B1BRAFBMPR1BBMPR1ATGFBR1
SCHEMBL1014624 0.99 HSD11B1 (0.62) HSD11B1BRAFBMPR1BBMPR1ATGFBR1
SCHEMBL1013801 0.94 HSD11B1 (0.64) HSD11B1BRAFBMPR1BBMPR1ATGFBR1
SCHEMBL1014776 0.91 POLB (0.64) HSD11B1BRAFBMPR1BBMPR1ATGFBR1
SCHEMBL1017870 0.91 POLB (0.64) HSD11B1BRAFBMPR1BBMPR1ATGFBR1
SCHEMBL1014028 0.89 POLB (0.61) HSD11B1BRAFPOLBSMN1; SMN2MAPT
SCHEMBL1014719 0.87 POLB (0.53) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1013784 0.87 POLB (0.53) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1015708 0.86 POLB (0.52) HSD11B1POLBSMN1; SMN2LMNATSHR
SCHEMBL1014750 0.84 POLB (0.50) HSD11B1POLBSMN1; SMN2CNR2LMNA

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
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
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 HSD11B1 2/4885BRAF 3374/4885BMPR1B 2717/4885

“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.