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Sugi Predict / Compounds / SCHEMBL2018713

SCHEMBL2018713

SCHEMBL2018713

N#C/N=C1/N(Cc2c(Cl)cc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)cc3)cc2Cl)CCC12CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE7B Q9NP56 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ MGLL Q99685 4/20 0.33
▸ HSD11B1 P28845 2/20 0.32
▸ SPR P35270 2/20 0.32
▸ FASN P49327 1/20 0.32
▸ ALK Q9UM73 2/20 0.32
▸ USP7 Q93009 1/20 0.31

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
SCHEMBL2018714 1.00 PDE5A (0.35) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL1750125 0.86 RIPK1 (0.41) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL1752110 0.80 RIPK1 (0.42) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL3045877 0.80 RIPK1 (0.42) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL3033937 0.80 RIPK1 (0.42) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL1750671 0.79 RIPK1 (0.41) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL2301150 0.78 NAMPT (0.41) NAMPTMGLLALK
SCHEMBL2296894 0.78 NAMPT (0.41) NAMPTMGLLALK
SCHEMBL2299298 0.78 NAMPT (0.41) NAMPTMGLLALK
SCHEMBL2299295 0.76 NAMPT (0.39) PDE5APDE4APDE1APDE1BPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 — — EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 — — US claimed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 — — US disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 — — US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 — — US disclosed
WO-2011068927-A2 11-β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11B-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 — — EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 — — 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 (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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 PDE5A 698/4885PDE4A 587/4885PDE1A 899/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 PDE5A 619/4885PDE4A 433/4885PDE1A 674/4885

“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.