SCHEMBL1580320

SCHEMBL1580320

O=C1NC(=O)/C(=C\c2cc(C(F)(F)F)cc(Cl)c2N2CCN(CCN3CCOCC3)CC2)S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ PIM2 Q9P1W9 5/20 0.45
▸ PIM1 P11309 4/20 0.45
▸ PIM3 Q86V86 2/20 0.45
▸ PTPN1 P18031 6/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PTPN2 P17706 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ ESRRA P11474 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ CISD1 Q9NZ45 1/20 0.40

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
SCHEMBL1580323 1.00 HPGD (0.46) HPGDPIM2PIM1PIM3PTPN1
SCHEMBL12281607 1.00 HPGD (0.46) HPGDPIM2PIM1PIM3PTPN1
SCHEMBL1579116 0.92 MAPT (0.51) HPGDPIM2PIM1PIM3PTPN1
SCHEMBL1579112 0.92 MAPT (0.51) HPGDPIM2PIM1PIM3PTPN1
SCHEMBL12281641 0.92 MAPT (0.51) HPGDPIM2PIM1PIM3PTPN1
SCHEMBL12282366 0.90 PIM2 (0.45) HPGDPIM2PIM1PIM3PTPN1
SCHEMBL2424501 0.90 PIM2 (0.45) HPGDPIM2PIM1PIM3PTPN1
SCHEMBL2424504 0.90 PIM2 (0.45) HPGDPIM2PIM1PIM3PTPN1
SCHEMBL12282828 0.88 PIM2 (0.44) HPGDPIM2PIM1PIM3PTPN1
SCHEMBL2421157 0.88 PIM2 (0.44) HPGDPIM2PIM1PIM3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US claimed
JP-2011526616-A — — 2011-10-13 — — JP claimed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US claimed
EP-2310010-A2 CHEMICAL COMPOUNDS 251 AstraZeneca AB (SE) 2011-04-20 — — EP claimed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO claimed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
EP-2310010-A2 CHEMICAL COMPOUNDS 251 AstraZeneca AB (SE) 2011-04-20 — — EP disclosed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO 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 (2 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 HPGD 1630/4885PIM2 3/4885PIM1 1/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 HPGD 1778/4885PIM2 3/4885PIM1 1/4885

“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.

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