SCHEMBL1014359

SCHEMBL1014359

CCCSc1nc(N2CCN(C(C)=O)CC2)ncc1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
MAPT P10636 4/20 0.44
PTPN11 Q06124 2/20 0.43
HSD11B1 P28845 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.40
SMO Q99835 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL1015936 0.87 PTPN11 (0.47) SYKPTPN11HSD11B1LMNAPOLB
SCHEMBL1015952 0.86 HSD11B1 (0.57) MAPTHSD11B1LMNAMEN1KMT2A
SCHEMBL1015903 0.81 MEN1 (0.61) SYKMAPTLMNAMEN1KMT2A
SCHEMBL1014978 0.80 ALOX15 (0.55) MAPTHSD11B1LMNAMEN1KMT2A
SCHEMBL1012897 0.77 HSD11B1 (0.66) HSD11B1
SCHEMBL11871209 0.76 SYK (0.47) SYKMAPTPTPN11LMNAMEN1
SCHEMBL1014364 0.75 SMN1; SMN2 (0.63) MAPTLMNAMEN1KMT2APOLB
SCHEMBL1012139 0.75 ALDH1A1 (0.67) MAPTHSD11B1POLBALOX15SMN1; SMN2
SCHEMBL4293710 0.73 HSD11B1 (0.80) HSD11B1
SCHEMBL1014538 0.73 HSD11B1 (0.80) HSD11B1

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 SYK 4386/4885MAPT 4375/4885PTPN11 3353/4885

“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.