SCHEMBL2987139

SCHEMBL2987139

Cc1cc2ccncc2c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
RAD52 P43351 1/20 0.41
TOP2A P11388 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.38
ACHE P22303 1/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
IMPDH2 P12268 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
WNT3A P56704 1/20 0.34
PIM1 P11309 1/20 0.33
HASPIN Q8TF76 1/20 0.33

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
SCHEMBL16235317 0.85 IMPDH2 (0.42) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL11294778 0.80 KDM4E (0.43) MAOAPOLBKDM4EHTTRAD52
SCHEMBL18266938 0.80 MAOA (0.44) MAOAPOLBKDM4EHTTRAD52
Ammonia Solution, Strong SCHEMBL28643687 0.78 MAOA (0.43) MAOAPOLBKDM4EHTTRAD52
SCHEMBL7259065 0.78 MAOA (0.40) MAOAPOLBKDM4EHTTRAD52
SCHEMBL7261336 0.77 MAOA (0.42) MAOAPOLBKDM4EHTTRAD52
SCHEMBL7267631 0.77 MAOA (0.42) MAOAPOLBKDM4EHTTRAD52
SCHEMBL11374560 0.77 KDM4E (0.49) MAOAPOLBKDM4EHTTRAD52
Hydrochloric Acid SCHEMBL2978508 0.76 MAOA (0.44) MAOAPOLBKDM4EHTTRAD52
SCHEMBL13107488 0.74 LATS1 (0.44) MAOAPOLBKDM4EHTTRAD52

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 US disclosed
US-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 US disclosed
US-20090105291-A1 Phenylalanine Enamide Derivatives RIGEL PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US disclosed
EP-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 US disclosed
EP-1780201-A2 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R&D Limited (GB) 2007-05-02 EP disclosed
US-20070027174-A1 Phenylalanine Enamide Derivatives CELLTECH R&D LIMITED 2007-02-01 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
EP-1332132-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2003-08-06 EP disclosed
US-6545013-B2 Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. CELLTECH R&D LIMITED (GB) 2003-04-08 US disclosed
EP-1286995-A1 2,7-NAPHTHYRIDINE DERIVATIVES Celltech R&D Limited (GB) 2003-03-05 EP disclosed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 US disclosed
WO-2002068393-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-09-06 WO disclosed
US-20020115684-A1 2, 7-naphthyridine derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US disclosed
WO-2001092256-A1 2,7-NAPHTHYRIDINE DERIVATIVES CELLTECH R & D LIMITED (GB) 2001-12-06 WO disclosed
WO-2001079173-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R & D LIMITED (GB) 2001-10-25 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 (7 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 MAOA 2042/4885POLB 1836/4885KDM4E 3323/4885
US-20070027174-A1 Phenylalanine Enamide Derivatives PAH, HRH3, AGTR2 MAOA 1517/4885POLB 2991/4885KDM4E 1354/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR MAOA 1363/4885POLB 3008/4885KDM4E 1834/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH MAOA 1140/4885POLB 2419/4885KDM4E 1478/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL MAOA 3943/4885POLB 1234/4885KDM4E 4222/4885
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 MAOA 2710/4885POLB 2541/4885KDM4E 3394/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR MAOA 1363/4885POLB 3008/4885KDM4E 1834/4885

“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.