SCHEMBL1015992

SCHEMBL1015992

COC(=O)c1cnc(C2(NC(=O)OCc3ccccc3)CC2)nc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.40
CTSB P07858 3/20 0.39
CTSS P25774 3/20 0.39
CTSL P07711 2/20 0.39
ALDH1A1 P00352 2/20 0.38
EPHX1 P07099 1/20 0.37
PRMT5 O14744 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
FSHR P23945 1/20 0.37
CTSK P43235 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
CPB1 P15086 1/20 0.36
GAA P10253 1/20 0.36
RORC P51449 1/20 0.36
FKBP1A P62942 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1015573 0.92 ALDH1A1 (0.39) ADORA3CTSBCTSSCTSLALDH1A1
SCHEMBL4296670 0.81 HSD11B1 (0.57)
SCHEMBL13661527 0.81 HSD11B1 (0.57)
SCHEMBL14705997 0.74 P2RX7 (0.47) CTSBCTSSCTSLALDH1A1MEN1
SCHEMBL17892948 0.72 PKM (0.45) CTSBCTSSCTSLALDH1A1KMT2A
SCHEMBL27831254 0.71 CTSB (0.37) CTSBCTSSCTSLALDH1A1KMT2A
SCHEMBL12259705 0.69 ALDH1A1 (0.40) CTSBCTSSCTSLALDH1A1TSHR
SCHEMBL16616165 0.69 CNR1 (0.51) ALDH1A1PRMT5MEN1KMT2AGAA
SCHEMBL1013142 0.68 HSD11B1 (0.52) ALDH1A1KMT2A
SCHEMBL1013256 0.67 CSNK1D (0.40) ALDH1A1

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 ADORA3 3466/4885CTSB 1256/4885CTSS 638/4885

“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.