SCHEMBL1014900

SCHEMBL1014900

CCCSc1ncc(C(=O)O)c(N2C[C@@H](C)O[C@@H](C)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
ALOX15 P16050 1/20 0.44
SRC P12931 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ATM Q13315 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
SCHEMBL1014722 0.87 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL1018091 0.81 HSD11B1 (0.46) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL1013553 0.78 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL1015436 0.77 HSD11B1 (0.61)
SCHEMBL1015456 0.75 RAB9A (0.45) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL1014978 0.70 ALOX15 (0.55) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL1014328 0.69 SMN1; SMN2 (0.42) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL1014882 0.69 RAB9A (0.42) ALDH1A1GAASMN1; SMN2HTTPOLB
SCHEMBL16824218 0.68 RBP4 (0.51) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL2211812 0.68 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAASMN1; SMN2

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 ALDH1A1 53/4885MEN1 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.