SCHEMBL1014364

SCHEMBL1014364

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.63
RAB9A P51151 6/20 0.63
NPC1 O15118 6/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
MAPT P10636 7/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 8/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 4/20 0.50
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL1012139 0.83 ALDH1A1 (0.67) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL1014833 0.83 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL1014361 0.83 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL1015456 0.82 RAB9A (0.45) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL1012184 0.79 HSD11B1 (0.47) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL14799238 0.78 ALDH1A1 (0.72) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL28511046 0.77 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL28520505 0.76 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL1015952 0.76 HSD11B1 (0.57) SMN1; SMN2MAPTALDH1A1TDP1POLB
SCHEMBL1015257 0.76 HSD11B1 (0.51) 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 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 2203/4885RAB9A 1947/4885NPC1 1075/4885

“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.