SCHEMBL1015903

SCHEMBL1015903

CCCSc1ncc(C(=O)OCC)c(N2CCN(C(C)=O)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 5/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SYK P43405 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1013553 0.87 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1014359 0.81 SYK (0.48) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1014722 0.80 ALDH1A1 (0.64) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1014364 0.75 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL22601477 0.73 MEN1 (0.80) MEN1KMT2ANFKB1NFKB2RELA
SCHEMBL22440417 0.73 MEN1 (0.76) MEN1KMT2ASMN1; SMN2NFKB1NFKB2
SCHEMBL1015198 0.73 HSD11B1 (0.60)
SCHEMBL6648802 0.73 MEN1 (0.79) MEN1KMT2ASMN1; SMN2NFKB1NFKB2
SCHEMBL1014361 0.72 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1014833 0.72 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1NFKB1NFKB2

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 MEN1 1994/4885KMT2A 1860/4885SMN1; SMN2 2203/4885

“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.