SCHEMBL1014833

SCHEMBL1014833

CCCSc1ncc(C(=O)OCC)c(NC)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.59
NPC1 O15118 7/20 0.59
RAB9A P51151 6/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
ALDH1A1 P00352 9/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 6/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 3/20 0.51
SYK P43405 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
FOS P01100 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
SCHEMBL29545771 0.85 ALDH1A1 (0.70) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL1521842 0.85 ALDH1A1 (0.70) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL1014882 0.84 RAB9A (0.42) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL1014364 0.83 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL27299673 0.80 ALDH1A1 (0.54) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL14810384 0.80 KDM4E (0.57) NPC1NFKB1NFKB2RELAALDH1A1
SCHEMBL1014361 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL15624862 0.79 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL20910144 0.78 SYK (0.55) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL25829315 0.75 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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 2203/4885NPC1 1075/4885RAB9A 1947/4885

“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.