SCHEMBL1017870

SCHEMBL1017870

Cc1nc(N2CCCCC2)ncc1C(=O)NC1CCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 6/20 0.57
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
NR3C1 P04150 1/20 0.50
BRAF P15056 1/20 0.50
HSD11B1 P28845 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
BMPR1B O00238 1/20 0.48
BMPR1A P36894 1/20 0.48
TGFBR1 P36897 1/20 0.48

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
SCHEMBL1014776 1.00 POLB (0.64) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1014028 0.99 POLB (0.61) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1013784 0.92 POLB (0.53) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1014719 0.92 POLB (0.53) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1015708 0.91 POLB (0.52) POLBSMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL1015182 0.91 HSD11B1 (0.61) POLBSMN1; SMN2MAPTNR3C1BRAF
SCHEMBL1014425 0.91 HSD11B1 (0.61) POLBSMN1; SMN2MAPTNR3C1BRAF
SCHEMBL1014624 0.89 HSD11B1 (0.62) POLBSMN1; SMN2MAPTBRAFHSD11B1
SCHEMBL1014750 0.89 POLB (0.50) POLBSMN1; SMN2MAPTNR3C1HSD11B1
SCHEMBL1014515 0.87 POLB (0.48) POLBSMN1; SMN2MAPTMEN1CYP1A2

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 POLB 2006/4885SMN1; SMN2 2203/4885MAPT 4375/4885

“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.