SCHEMBL2926156

SCHEMBL2926156

C=CC(=O)NC(=O)c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.50
▸ PTPN1 P18031 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ TGM2 P21980 7/20 0.38
▸ EGFR P00533 1/20 0.38
▸ GSTO1 P78417 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ F13A1 P00488 2/20 0.32
▸ TGM1 P22735 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TGM3 Q08188 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32

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
SCHEMBL2930023 0.78 CES2 (0.50) LMNAALDH1A1TDP1NPC1RAB9A
SCHEMBL29253227 0.72 P2RX7 (0.61) P2RX7NPC1RAB9ACTNNB1WNT3A
SCHEMBL31141952 0.72 AKT1 (0.44) P2RX7PTPN1PTPN11EGFRLMNA
SCHEMBL16098187 0.72 P2RX7 (0.60) P2RX7LMNAALDH1A1NPC1RAB9A
SCHEMBL7641546 0.71 TGM2 (0.50) PTPN1PTPN11TGM2EGFRGSTO1
SCHEMBL14837692 0.71 TGM2 (0.50) TGM2F13A1TGM1LMNATGM3
SCHEMBL2924549 0.71 P2RX7 (0.48) P2RX7LMNAALDH1A1TSHRTDP1
SCHEMBL2931801 0.69 AKT1 (0.54) TGM2LMNAALDH1A1NPC1RAB9A
SCHEMBL7530416 0.69 HDAC1 (0.59) LMNAALDH1A1
SCHEMBL1412804 0.69 P2RX7 (0.62) P2RX7NPC1RAB9ACTNNB1WNT3A

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
US-7732550-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MITI (JP) 2010-06-08 — — US disclosed
EP-0922715-B1 Stimuli-responsive polymer utilizing keto-enol tautomerization AGENCY IND SCIENCE TECHN (JP) 2008-04-02 — — EP disclosed
US-6858694-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY MITI (JP) 2005-02-22 — — US disclosed
US-6852819-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MITI (JP) 2005-02-08 — — US disclosed
US-20040223947-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2004-11-11 — — US disclosed
US-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2004-11-11 — — US disclosed
US-20020188084-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2002-12-12 — — US disclosed
EP-0922715-A2 Stimuli-responsive polymer utilizing keto-enol tautomerization AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY MITI (JP) 1999-06-16 — — EP 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-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same CREB1, STIM2, GABRE P2RX7 4273/4885PTPN1 4399/4885PTPN11 3586/4885
US-20040223947-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same ACMSD, ADSL, CREB1 P2RX7 4804/4885PTPN1 4668/4885PTPN11 4061/4885

“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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