SCHEMBL1012184

SCHEMBL1012184

CCCSc1ncncc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
NMT1 P30419 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL16612336 0.88 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL23094455 0.84 ALDH1A1 (0.49) RAB9AALDH1A1HSD17B10POLBTDP1
SCHEMBL1015260 0.82 HSD11B1 (0.50) HSD11B1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13667410 0.81 HSD11B1 (0.49) HSD11B1ALDH1A1HSD17B10TDP1CYP1A2
SCHEMBL1014364 0.79 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL29906642 0.77 TSHR (0.48) RAB9ANPC1SMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL1669584 0.77 TSHR (0.48) RAB9ANPC1SMN1; SMN2HSP90AA1ALDH1A1
Butane SCHEMBL27752942 0.76 HSP90AA1 (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1012139 0.76 ALDH1A1 (0.67) HSD11B1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL2327456 0.75 TSHR (0.47) RAB9ANPC1SMN1; SMN2HSP90AA1ALDH1A1

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 HSD11B1 2/4885RAB9A 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.