SCHEMBL6070326

SCHEMBL6070326

CCOC(=O)c1c(C)nn(-c2ncccc2[N+](=O)[O-])c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.62
▸ PDE4D Q08499 4/20 0.59
▸ PDE4B Q07343 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.58
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.44
▸ P2RY12 Q9H244 2/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL6070770 0.85 PKM (0.62) PKMKDM4EMAPTNPC1NFKB1
SCHEMBL7472993 0.84 PKM (0.56) PKMPDE4DPDE4BKDM4EMAPT
SCHEMBL6070168 0.83 PDE4B (0.67) PDE4DPDE4BKDM4EMAPTNPC1
SCHEMBL6070100 0.81 KDM4E (0.62) PDE4DPDE4BKDM4EMAPTNPC1
SCHEMBL28827450 0.78 PKM (0.49) PKMPDE4DPDE4BMAPTNPC1
SCHEMBL26659337 0.77 PDE4D (0.66) PDE4DPDE4BKDM4EMAPTNPC1
SCHEMBL123446 0.75 PDE4D (0.67) PDE4DPDE4BKDM4EMAPTNPC1
SCHEMBL6070203 0.74 PDE4D (0.63) PDE4DPDE4BKDM4EMAPTNPC1
SCHEMBL30583450 0.74 PDE4D (1.00) PDE4DPDE4BNPC1RAB9AALDH1A1
SCHEMBL2201643 0.74 PDE4D (1.00) PDE4DPDE4BNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 — — US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 — — US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 — — US disclosed
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 — — EP disclosed
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 — — 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 (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-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PKM 1060/4885PDE4D 5/4885PDE4B 2/4885

“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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