SCHEMBL3052255

SCHEMBL3052255

CCc1cncc2ccc(N)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
PRKCZ Q05513 2/20 0.39
IMPDH2 P12268 1/20 0.38
NT5E P21589 1/20 0.37
PDE10A Q9Y233 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
F2 P00734 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAOA P21397 1/20 0.36
DRD1 P21728 1/20 0.36
ACHE P22303 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL20429324 0.81 PDE10A (0.43) PDE10AMEN1LMNAKMT2AACHE
SCHEMBL1705948 0.80 ESR1 (0.46) PDE10AIKBKBJAK2ROCK2JAK1
SCHEMBL1705752 0.77 PDE10A (0.55) EGFRPDE10A
SCHEMBL4730778 0.76 KDM4E (0.46) MEN1LMNAKMT2AF2ADORA3
SCHEMBL873335 0.75 CYP11B1 (0.47) PRKCZPDE10AADRA2AKCNH2
SCHEMBL3060870 0.75 EGFR (0.46) EGFRPRKCZIMPDH2PDE10AMEN1
SCHEMBL19383227 0.74 PDE10A (0.48) PDE10A
SCHEMBL10182816 0.73 PRKCZ (0.46) PRKCZIKBKBROCK1
SCHEMBL1705009 0.73 PRKCZ (0.46) PRKCZIKBKBROCK1
SCHEMBL1705010 0.73 PRKCZ (0.46) PRKCZIKBKBROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020056345-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2020-03-19 WO disclosed
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
CN-100356979-C Integrin expression inhibitors EISAI CO LTD (JP) 2007-12-26 CN disclosed
EP-1243583-B1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS EISAI CO LTD (JP) 2005-09-28 EP disclosed
CN-1217936-C Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2005-09-07 CN disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-6787534-B2 SUBSTITUTED QUINOLINE AND ISOQUINOLINE ANTIANGIOGENIC AGENTS; SULFONYLUREAS EISAI CO., LTD. (JP) 2004-09-07 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
CN-1414952-A Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2003-04-30 CN disclosed
CN-1396833-A Integrin expression inhibitors EISAI CO LTD (JP) 2003-02-12 CN disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 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 (4 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 EGFR 576/4885PRKCZ 4621/4885IMPDH2 4659/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 EGFR 576/4885PRKCZ 4621/4885IMPDH2 4659/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 EGFR 787/4885PRKCZ 4693/4885IMPDH2 4600/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 EGFR 2349/4885PRKCZ 4063/4885IMPDH2 2691/4885

“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.