SCHEMBL1015573

SCHEMBL1015573

O=C(NC1(c2ncc(C(=O)O)c(C3CCCC3)n2)CC1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CTSS P25774 3/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
TSHR P16473 2/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
GAA P10253 1/20 0.37
FSHR P23945 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
CTSK P43235 2/20 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
SCHEMBL1015992 0.92 ADORA3 (0.40) ALDH1A1CTSSCTSLCTSBTSHR
SCHEMBL13661527 0.82 HSD11B1 (0.57)
SCHEMBL4296670 0.82 HSD11B1 (0.57)
SCHEMBL14705997 0.75 P2RX7 (0.47) ALDH1A1CTSSCTSLCTSBTSHR
SCHEMBL12259705 0.70 ALDH1A1 (0.40) ALDH1A1CTSSCTSLCTSBTSHR
SCHEMBL27810922 0.69 CTSS (0.37) ALDH1A1CTSSCTSLCTSBTSHR
SCHEMBL31247681 0.68 P2RX7 (0.46) ALDH1A1CTSSCTSLCTSBGAA
SCHEMBL21760459 0.68 CTSL (0.45) CTSSCTSLCTSB
SCHEMBL16545238 0.67 ALDH1A1 (0.45) ALDH1A1CTSSCTSLCTSBKMT2A
SCHEMBL2147641 0.67 CTSL (0.42) ALDH1A1CTSSCTSLCTSBGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
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 53/4885CTSS 638/4885CTSL 1402/4885

“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.