SCHEMBL1013553

SCHEMBL1013553

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
PTPN11 Q06124 1/20 0.38
SYK P43405 4/20 0.38
THRB P10828 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMO Q99835 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 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
SCHEMBL1015903 0.87 MEN1 (0.61) SMN1; SMN2MEN1KMT2ALMNARAB9A
SCHEMBL1015936 0.79 PTPN11 (0.47) SMN1; SMN2CKS1BSKP1SKP2LMNA
SCHEMBL1014900 0.78 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2ALMNARAB9A
SCHEMBL1015198 0.76 HSD11B1 (0.60)
SCHEMBL1015456 0.73 RAB9A (0.45) SMN1; SMN2RAB9APOLBTHRBNPC1
SCHEMBL1014328 0.70 SMN1; SMN2 (0.42) SMN1; SMN2RAB9APOLBTHRBNPC1
SCHEMBL1014882 0.70 RAB9A (0.42) SMN1; SMN2RAB9APOLBTHRBNPC1
SCHEMBL22440403 0.69 PDE4B (0.61) MEN1KMT2ALMNATHRBKDM4E
SCHEMBL1014359 0.69 SYK (0.48) SMN1; SMN2MEN1KMT2ALMNARAB9A
SCHEMBL22440409 0.68 PDE4B (0.64) MEN1KMT2APOLBKDM4EMTOR

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 6 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
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

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

“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.