SCHEMBL1014882

SCHEMBL1014882

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HTT P42858 2/20 0.40
KDM6B O15054 3/20 0.40
KDM4A O75164 3/20 0.40
KDM4D Q6B0I6 3/20 0.40
KDM3B Q7LBC6 3/20 0.40
HIF1AN Q9NWT6 3/20 0.40
KDM5B Q9UGL1 3/20 0.40
KDM2A Q9Y2K7 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL1014833 0.84 SMN1; SMN2 (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1015456 0.81 RAB9A (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL16370470 0.80 MEN1 (0.49) RAB9ANPC1SMN1; SMN2KDM6BKDM4A
SCHEMBL1014328 0.77 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL31612085 0.73 LRRK2 (0.41) NFKB1NFKB2RELAHTT
SCHEMBL28518019 0.73 PPARG (0.62) RAB9ANPC1SMN1; SMN2KDM6BKDM4A
SCHEMBL1015032 0.72 HSD11B1 (0.71)
SCHEMBL1014096 0.72 KDM4E (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL17197228 0.72 LRRK2 (0.45) KDM4E
SCHEMBL2023250 0.71 ALDH1A1 (0.57) SMN1; SMN2NFKB1NFKB2RELAHTT

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 RAB9A 1947/4885NPC1 1075/4885SMN1; SMN2 2203/4885

“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.