Sugi Predict

Sugi Predict / Compounds / SCHEMBL2370723

SCHEMBL2370723

SCHEMBL2370723

Cc1cc2ccncc2c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MAOA P21397 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ TOP2A P11388 1/20 0.38
▸ ELANE P08246 3/20 0.38
▸ ANTXR2 P58335 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ F7 P08709 2/20 0.37
▸ F3 P13726 2/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL7264074 0.75 F7 (0.40) MAPTALOX5MAOAKDM4EHTT
SCHEMBL295233 0.73 PTGES (0.56) MAPTALOX5MAOAKDM4EELANE
SCHEMBL31604207 0.73 PTGES (0.56) MAPTALOX5MAOAKDM4EELANE
SCHEMBL2629271 0.73 MAPT (0.51) MAPTMAOAKDM4ERAB9A
SCHEMBL19793345 0.72 ELANE (0.53) MAPTMAOAKDM4EPOLBELANE
SCHEMBL1964870 0.71 ELANE (0.61) KDM4EELANEF7F3F10
SCHEMBL15569142 0.71 PTGES (0.46) MAPTALOX5MAOAKDM4EPOLB
SCHEMBL126266 0.69 MAPT (0.51) MAPTMAOAKDM4EMAOBRAB9A
SCHEMBL12754950 0.69 NQO1 (0.52) MAPTMAOAKDM4EPOLBELANE
SCHEMBL27109662 0.69 TOP2A (0.47) MAOAKDM4EHTTPOLBRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 — — US disclosed
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 — — US disclosed
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 — — US disclosed
EP-2545053-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2013-01-16 — — EP disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — US disclosed
WO-2011110183-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — WO disclosed
WO-2011110183-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 — — WO disclosed
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 — — 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 (5 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 MAPT 4805/4885ALOX5 477/4885MAOA 2042/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH MAPT 3531/4885ALOX5 1759/4885MAOA 1140/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL MAPT 4573/4885ALOX5 737/4885MAOA 3943/4885
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, KCND3 MAPT 2678/4885ALOX5 1660/4885MAOA 1718/4885
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists KCNQ3, KCNK3, KCND3 MAPT 2678/4885ALOX5 1660/4885MAOA 1718/4885

“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.